4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide

HCID 2874239

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5872-93-5
Standard SMILES: CSCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIKey: CZBMVJWMBQEAFA-UHFFFAOYSA-N
Molecular formula: C10H14N2O4S2
Average molar mass: 290.4 g/mol
Monoisotopic mass: 290.03949928

Names & identifiers

Preferred name: 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide
IUPAC: 4-methyl-N-(2-methylsulfanylethyl)-3-nitrobenzenesulfonamide

Names & synonyms

5872-93-5CBMicro_036939Cambridge id 5872935DTXSID703868484-methyl-N-(2-methylsulfanylethyl)-3-nitrobenzenesulfonamide4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamideSTL416862AKOS000383209BIM-0036866.P0014-methyl-N-[2-(methylthio)ethyl]-3-nitrobenzenesulfonamide4-methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzenesulfonamide

Database identifiers

CAS: 5872-93-5
PubChem CID: 2874239
DTXSID: DTXSID70386848

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 126 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 374

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…