chempirical

2-Nitrobenzenesulfonamide

C6H6N2O4SCAS 5455-59-4202.18 g/mol

Open in Covalent MOL file
N+OO−SOONH2
NitroSulfonamide

Properties

Molecular formula
C6H6N2O4S
Molar mass
202.18 g/mol
Exact mass
202.0048 Da
logP
0.24Crippen estimate
Polar surface area
103.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5455-59-4
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N
InChIKey
GNDKYAWHEKZHPJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H,(H2,7,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Nitrobenzenesulfonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Nitrobenzenesulfonyl chloride1694-92-460 % similar 2-Nitrobenzenesulfonic acid80-82-060 % similar 2-Nitrophenyl phenyl sulfone31515-43-258 % similar 1,2-Dinitrobenzene528-29-055 % similar 2,2′-Dinitrobiphenyl2436-96-650 % similar 2-Nitroaniline88-74-450 % similar 4-Fluoro-3-nitrobenzenesulfonamide406233-31-649 % similar 2-Methyl-5-nitrobenzene-1-sulfonamide6269-91-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Nitrobenzenesulfonamide121-52-8 4-Nitrobenzenesulfonamide6325-93-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook