4-Methyl-N-(3-nitrophenyl)benzenesulfonamide
Basic information
- CAS
1576-38-1- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1- InChIKey
BRMWHPKATJJZBE-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4S
- Average molar mass
- 292.31 g/mol
- Monoisotopic mass
- 292.05177804
Names & identifiers
- Preferred name
- 4-Methyl-N-(3-nitrophenyl)benzenesulfonamide
- IUPAC
- 4-methyl-N-(3-nitrophenyl)benzenesulfonamide
- English name
- Benzenesulfonamide,4-methyl-N-(3-nitrophenyl)-
- Molecular formula
- C13H12N2O4S
- Molecular weight
- 292.31
Names & synonyms
1576-38-14-Methyl-N-(3-nitrophenyl)benzenesulfonamide4-Methyl-N-(3-nitro-phenyl)-benzenesulfonamidem-Nitro-N-tosylanilineNSC86602CBMicro_047712Cambridge id 5173961NCIOpen2_0048384-Methyl-N-(3-nitrophenyl)benzene-1-sulfonamideCHEMBL181270SCHEMBL27927882DTXSID10935738
Show more names
3-Nitrophenyl toluenesulfonamideBenzenesulfonamide,4-methyl-N-(3-nitrophenyl)-
BRMWHPKATJJZBE-UHFFFAOYSA-NNSC-86602STK864439AKOS000346476BIM-0047953.P001CS-0328637ST50776145[(4-methylphenyl)sulfonyl](3-nitrophenyl)amine
Database identifiers
- CAS
1576-38-1- PubChem CID
- 257970
- DTXSID
DTXSID10935738- ChEMBL
CHEMBL181270- EC Number
- 149-682-2
- Nikkaji
- J1.425.176F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 432
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…