3-Amino-N-(tert-butyl)benzenesulfonamide

C10H16N2O2SCAS 608523-94-0228.31 g/mol

Open in Covalent MOL file
NHSOONH2
Primary amineSulfonamide

Properties

Molecular formula
C10H16N2O2S
Molar mass
228.31 g/mol
Exact mass
228.0932 Da
logP
1.35Crippen estimate
Polar surface area
72.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
608523-94-0
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)N
InChIKey
KLQVFEHOLLUULE-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2O2S/c1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h4-7,12H,11H2,1-3H3

Weigh it out

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

Work with 3-Amino-N-(tert-butyl)benzenesulfonamide

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

3-Amino-N-phenylbenzenesulfonamide80-21-761 % similar 3,3'-Sulphonyldianiline599-61-151 % similar 3-(Methylsulphonyl)aniline35216-39-851 % similar 3-Aminobenzenesulfonamide98-18-049 % similar 3-((Trifluoromethyl)sulfonyl)aniline426-59-548 % similar Metanilic acid121-47-147 % similar Sodium m-aminobenzenesulfonate1126-34-745 % similar N-tert-Butyl-2-thiophenesulfonamide100342-30-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Ethylsulfonyl)-N1,N1-dimethyl-1,3-benzenediamine1220028-78-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook