4-(4-nitrophenyl)benzenesulfonamide

C12H10N2O4S — CID 59079460

IUPAC4-(4-nitrophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C12H10N2O4S/c13-19(17,18)12-7-3-10(4-8-12)9-1-5-11(6-2-9)14(15)16/h1-8H,(H2,13,17,18)
InChIKeyMBLDYEXWNFSKAI-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.91
Rot. Bonds3

About 4-(4-nitrophenyl)benzenesulfonamide

4-(4-nitrophenyl)benzenesulfonamide (PubChem CID 59079460) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-(4-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-nitrophenyl)benzenesulfonamide
PubChem CID59079460
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name4-(4-nitrophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C12H10N2O4S/c13-19(17,18)12-7-3-10(4-8-12)9-1-5-11(6-2-9)14(15)16/h1-8H,(H2,13,17,18)
InChIKeyMBLDYEXWNFSKAI-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

4,4'-Dinitro-1,1'-biphenyl
CID 15216
Benzenesulfonamide, 4-methyl-N-(4-nitrophenyl)-
CID 69772
4'-Amino-1,1'-biphenyl-4-sulfonamide
CID 4961927
4-Methyl-N-(4-methylphenyl)benzenesulfonamide
CID 69034
2'-Nitro-p-toluenesulfonanilide
CID 257969
N-[(4-Methylphenyl)methyl]-4-nitro-benzenesulfonamide
CID 743480
Mls002693555
CID 248757
4-(4-Nitro-benzylideneamino)-benzenesulfonamide
CID 564225
N-(4-ethylphenyl)-4-methylbenzenesulfonamide
CID 1817526
N-[(4-methylphenyl)methyl]-2-nitrobenzenesulfonamide
CID 2250659
n-(4-Methyl-2-nitrophenyl)benzenesulfonamide
CID 231994
1-Methyl-4-[(4-nitrobenzyl)sulfonyl]benzene
CID 800082

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)benzenesulfonamide?
The IUPAC name of 4-(4-nitrophenyl)benzenesulfonamide (CID 59079460) is 4-(4-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 4-(4-nitrophenyl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-(4-nitrophenyl)benzenesulfonamide?
The InChIKey is MBLDYEXWNFSKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c13-19(17,18)12-7-3-10(4-8-12)9-1-5-11(6-2-9)14(15)16/h1-8H,(H2,13,17,18).
What are the key properties of 4-(4-nitrophenyl)benzenesulfonamide?
4-(4-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-(4-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 59079460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).