4-(2-aminophenyl)benzenesulfonamide

C12H12N2O2S — CID 18545753

IUPAC4-(2-aminophenyl)benzenesulfonamide
SMILESNc1ccccc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H12N2O2S/c13-12-4-2-1-3-11(12)9-5-7-10(8-6-9)17(14,15)16/h1-8H,13H2,(H2,14,15,16)
InChIKeyZLHTUAJRDXEPJD-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.58
Rot. Bonds2

About 4-(2-aminophenyl)benzenesulfonamide

4-(2-aminophenyl)benzenesulfonamide (PubChem CID 18545753) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-(2-aminophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminophenyl)benzenesulfonamide
PubChem CID18545753
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-(2-aminophenyl)benzenesulfonamide
SMILESNc1ccccc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H12N2O2S/c13-12-4-2-1-3-11(12)9-5-7-10(8-6-9)17(14,15)16/h1-8H,13H2,(H2,14,15,16)
InChIKeyZLHTUAJRDXEPJD-UHFFFAOYSA-N
XLogP1.58
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

p-Toluenesulfono-o-toluidide
CID 66457
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
4-Methylbenzenesulfonic acid 2-phenylhydrazide
CID 207054
4'-Amino-1,1'-biphenyl-4-sulfonamide
CID 4961927
2',4'-Dimethylbenzenesulfonanilide
CID 295226
4-amino-N-benzylbenzene-1-sulfonamide
CID 66909
N-Biphenyl-2-yl-4-methyl-benzenesulfonamide
CID 818647
N-(4-butylphenyl)-4-fluorobenzenesulfonamide
CID 2843133
Benzenesulfonanilide
CID 74296
4-Methyl-N-(4-methylphenyl)benzenesulfonamide
CID 69034
N,1-diphenylmethanesulfonamide
CID 669287
N-(ethylmercury)-p-toluenesulphonanilide
CID 10598

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)benzenesulfonamide?
The IUPAC name of 4-(2-aminophenyl)benzenesulfonamide (CID 18545753) is 4-(2-aminophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-aminophenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-aminophenyl)benzenesulfonamide is Nc1ccccc1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-aminophenyl)benzenesulfonamide?
The InChIKey is ZLHTUAJRDXEPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c13-12-4-2-1-3-11(12)9-5-7-10(8-6-9)17(14,15)16/h1-8H,13H2,(H2,14,15,16).
What are the key properties of 4-(2-aminophenyl)benzenesulfonamide?
4-(2-aminophenyl)benzenesulfonamide has a molecular weight of 248.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)benzenesulfonamide is sourced from PubChem (CID 18545753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).