4'-Nitro[1,1'-biphenyl]-4-sulfonamide

C12H10N2O4S — CID 59079460

IUPAC4-(4-nitrophenyl)benzenesulfonamide
SMILESC1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]
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
LogP2.30
Rot. Bonds2

About 4'-Nitro[1,1'-biphenyl]-4-sulfonamide

4'-Nitro[1,1'-biphenyl]-4-sulfonamide (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'-Nitro[1,1'-biphenyl]-4-sulfonamide
PubChem CID59079460
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name4-(4-nitrophenyl)benzenesulfonamide
SMILESC1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]
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
XLogP2.30
TPSA114.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity410

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4'-Nitro[1,1'-biphenyl]-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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'-Nitro[1,1'-biphenyl]-4-sulfonamide?
The IUPAC name of 4'-Nitro[1,1'-biphenyl]-4-sulfonamide (CID 59079460) is 4-(4-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 4'-Nitro[1,1'-biphenyl]-4-sulfonamide?
The canonical SMILES for 4'-Nitro[1,1'-biphenyl]-4-sulfonamide is C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-].
What is the InChIKey of 4'-Nitro[1,1'-biphenyl]-4-sulfonamide?
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'-Nitro[1,1'-biphenyl]-4-sulfonamide?
4'-Nitro[1,1'-biphenyl]-4-sulfonamide has a molecular weight of 278.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-Nitro[1,1'-biphenyl]-4-sulfonamide is sourced from PubChem (CID 59079460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).