2-Methyl-5-nitrobenzene-1-sulfonamide

C7H8N2O4SCAS 6269-91-6216.21 g/mol

Open in Covalent MOL file
N+OO−SOOH2N
NitroSulfonamide

Properties

Molecular formula
C7H8N2O4S
Molar mass
216.21 g/mol
Exact mass
216.0205 Da
logP
0.55Crippen estimate
Polar surface area
103.3 Ų
H-bond donors / acceptors
1 / 4
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
6269-91-6
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N
InChIKey
CLXWMMGXFSZUNP-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3,(H2,8,12,13)

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Names and synonyms

1 names
  • 2-Methyl-5-nitrobenzenesulfonamide

Work with 2-Methyl-5-nitrobenzene-1-sulfonamide

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-Methyl-5-nitrobenzenesulfonyl chloride121-02-865 % similar 2-Methyl-5-nitrobenzenesulfonic acid121-03-965 % similar 2-Chloro-5-nitrobenzenesulfonamide96-72-065 % similar N,N,2-Trimethyl-5-nitrobenzenesulfonamide433695-36-462 % similar 4-Nitro-o-xylene99-51-458 % similar 2-Methyl-5-nitroaniline99-55-856 % similar 2,4-Dinitrotoluene121-14-255 % similar 4-Nitrobenzenesulfonamide6325-93-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-(aminosulfonyl)benzoic acid137-65-5 4-Methyl-3-nitrobenzenesulfonamide6949-23-1 2-(Methylsulfonyl)-4-nitrobenzenamine96-74-2

Elsewhere

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