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Basic information
- Standard SMILES
Cc1cc(CS(N)(=O)=O)ccc1[N+](=O)[O-]- InChIKey
KMQSAUQQFCGSBH-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4S
- Average molar mass
- 230.24 g/mol
- Monoisotopic mass
- 230.03612798
Names & identifiers
- Preferred name
- (3-Methyl-4-nitrophenyl)methanesulfonamide
- IUPAC
- (3-methyl-4-nitrophenyl)methanesulfonamide
Names & synonyms
(3-methyl-4-nitrophenyl)methanesulfonamide915192-31-3SCHEMBL1735883KMQSAUQQFCGSBH-UHFFFAOYSA-N1-(3-Methyl-4-nitrophenyl)methanesulfonamideEN300-1991170
Database identifiers
- PubChem CID
- 44245339
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 330
Related reactions
3 records
Compound notes
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