chempirical

N-Methylbenzenesulfonamide

C7H9NO2SCAS 5183-78-8171.21 g/mol

Open in Covalent MOL file
HNSOO
Sulfonamide

Properties

Molecular formula
C7H9NO2S
Molar mass
171.21 g/mol
Exact mass
171.0354 Da
Melting point
31 °C
Boiling point
165–170 °C (at 30 Torr)
logP
0.59Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
5183-78-8
SMILES
CNS(=O)(=O)c1ccccc1
InChIKey
SVDVKEBISAOWJT-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h2-6,8H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzenesulfonamide, N-methyl-
  • Dellatol MMA
  • NSC 15404
  • N-Methylphenylsulfonamide
  • N-Benzenesulfonyl-N-methylamine

Work with N-Methylbenzenesulfonamide

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

N-Methyl-p-toluenesulfonamide640-61-963 % similar N-(Phenylsulfonyl)benzenesulfonamide2618-96-463 % similar Piloty's acid599-71-358 % similar N-Phenylbenzenesulfonamide1678-25-756 % similar Benzenesulfonyl hydrazide80-17-156 % similar N-Butylbenzenesulfonamide3622-84-248 % similar 6-Amino-N-methyl-2-naphthalenesulfonamide104295-55-846 % similar N-(2-Hydroxypropyl)benzenesulfonamide35325-02-146 % similar

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

Same formula

N-Phenylmethanesulfonamide1197-22-4 (R)-2-Amino-3-(thiophen-3-yl)propanoic acid152612-26-5 2-Thienylalanine2021-58-1 Ethyl 4-methylthiazole-5-carboxylate20582-55-2 L-2-Thienylalanine22951-96-8 4-(1-Methylethyl)-2-thiazolecarboxylic acid300831-06-5 Ethyl 2-aminothiophene-3-carboxylate31891-06-2 3-(Methylsulphonyl)aniline35216-39-8

Elsewhere

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