4-(2-nitrophenyl)benzenesulfonamide

C12H10N2O4S — CID 102354114

IUPAC4-(2-nitrophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N2O4S/c13-19(17,18)10-7-5-9(6-8-10)11-3-1-2-4-12(11)14(15)16/h1-8H,(H2,13,17,18)
InChIKeyPFQNDQRUAWYQDE-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.91
Rot. Bonds3

About 4-(2-nitrophenyl)benzenesulfonamide

4-(2-nitrophenyl)benzenesulfonamide (PubChem CID 102354114) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-(2-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-nitrophenyl)benzenesulfonamide
PubChem CID102354114
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name4-(2-nitrophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N2O4S/c13-19(17,18)10-7-5-9(6-8-10)11-3-1-2-4-12(11)14(15)16/h1-8H,(H2,13,17,18)
InChIKeyPFQNDQRUAWYQDE-UHFFFAOYSA-N
XLogP1.91
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminophenyl)benzenesulfonamide
CID 18545753
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
CID 22625277
4-(2-cyanophenyl)benzenesulfonamide
CID 102354115
2-hydroxy-4-(2-nitrophenyl)benzenesulfonic acid
CID 88697848
1-nitro-2-phenylbenzene;pyridine
CID 174774599
2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide
CID 71188447
1-(4-isocyanatophenyl)-2-nitrobenzene
CID 87202293
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
1,3-difluoro-5-(2-nitrophenyl)benzene
CID 134598355
4-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 110453851
3,4-dimethoxy-N-[4-(2-nitrophenyl)phenyl]benzenesulfonamide
CID 22203747

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)benzenesulfonamide?
The IUPAC name of 4-(2-nitrophenyl)benzenesulfonamide (CID 102354114) is 4-(2-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-nitrophenyl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-(2-nitrophenyl)benzenesulfonamide?
The InChIKey is PFQNDQRUAWYQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c13-19(17,18)10-7-5-9(6-8-10)11-3-1-2-4-12(11)14(15)16/h1-8H,(H2,13,17,18).
What are the key properties of 4-(2-nitrophenyl)benzenesulfonamide?
4-(2-nitrophenyl)benzenesulfonamide has a molecular weight of 278.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 102354114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).