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Sulfanilamide

CAS: 63-74-1 | C6H8N2O2S

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 63-74-1
Molecular Formula: C6H8N2O2S
Molecular Weight: 172.20900000000003 g/mol

Names and Synonyms:

Sulfanilamide
1162F
4-Aminobenzenesulfonic acid amide
Sulfonamid
Azol
4-Aminobenzene-1-sulfonamide
NSC 7618
(4-(Aminosulfonyl)phenyl)amine
Sulfanilamide Vaginal Cream
Ro 1-3354
4-(Aminosulfonyl)aniline
Streptocide
Streptopan
Infepan
Tolder
Sulfanidyl
Exoseptoplix
Streptocide (white)
p-Sulfamoylaniline
Streptocid
4-Sulfamoylaniline
Sulfonylamide
Sulfonamide
Sulphonamide
A-349
p-Aminophenylsulfonamide
Dipron
Sulfonamide P
White streptocide
Therapol
Sulphanilamide
Sulfocidine
Sulfanil
Sulfanalone
Sulfana
Sulfamine
Sulfamidyl
p-Sulfamidoaniline
Streptozone
Streptozol
Streptosil
Strepton
Streptocom
Streptoclase
Streptocid album
Streptasol
Streptamid
Streptagol
Strepsan
Strepamide
Stramid
Stopton Album
Septoplix
Septoplex
Septolix
Septinal
Septanilam
Septamide Album
Sanamid
Rubiazol A
Pysococcine
Proseptol
Proseptine
Proseptal
Pronzin Album
Prontylin
Prontosil white
Prontosil Album
Prontosil I
Prontalbin
PABS
Orgaseptine
Neococcyl
Lysococcine
Lusil
Gombardol
Gerison
Fourneau 1162
Estreptocida
Erysipan
Ergaseptine
Deseptyl
Copticide
Colsulanyde
Collomide
Bactesid
Bacteramid
Astrocid
Astreptine
Antistrept
p-Anilinesulfonamide
4-Aminophenylsulfonamide
p-Aminobenzenesulfonamide
Ambeside
Albosal
Albexan
F 1162
4-Aminobenzenesulfonamide
Sulfanilamide
Benzenesulfonamide, 4-amino-

Identifiers:

SMILES:
Nc1ccc(S(N)(=O)=O)cc1
InChI:
InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 172.20900000000003 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 172.030648496 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 11 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 1 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 86.18 Ų RDKit

Physical Properties

Property Value Source
LogP -0.08380000000000004 RDKit
molecular_mass 172.21 g/mol Legacy Database
density 1.08 g/cm³ Legacy Database
cas-canonical-smile O=S(=O)(N)C1=CC=C(N)C=C1 None Legacy Database
cas-density 1.08 g/cm3 @ Temp: 25 °C None Legacy Database
cas-inchi InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) None Legacy Database
cas-inchi-key InChIKey=FDDDEECHVMSUSB-UHFFFAOYSA-N None Legacy Database
cas-melting-point 165.5 °C None Legacy Database
cas-name Sulfanilamide None Legacy Database

Molar

Property Value Source
Molar Refractivity 42.2276 RDKit

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