2-Methyl-5-nitrobenzene-1-sulfonamide

C₇H₈N₂O₄SCAS 6269-91-6216.21 g/mol

Open in Covalent MOL file

Nitro Sulfonamide

Properties

Molecular formula: C₇H₈N₂O₄S
Molar mass: 216.21 g/mol
Exact mass: 216.0205 Da
logP: 0.55Crippen estimate
Polar surface area: 103.3 Å²
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

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)

Weigh it out

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

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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