N-(3-aminophenyl)benzenesulfonamide

C12H12N2O2S — CID 11849198

IUPACN-(3-aminophenyl)benzenesulfonamide
SMILESNc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C12H12N2O2S/c13-10-5-4-6-11(9-10)14-17(15,16)12-7-2-1-3-8-12/h1-9,14H,13H2
InChIKeyRUYQFOIEMVGGQT-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.07
Rot. Bonds3

About N-(3-aminophenyl)benzenesulfonamide

N-(3-aminophenyl)benzenesulfonamide (PubChem CID 11849198) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(3-aminophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)benzenesulfonamide
PubChem CID11849198
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(3-aminophenyl)benzenesulfonamide
SMILESNc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C12H12N2O2S/c13-10-5-4-6-11(9-10)14-17(15,16)12-7-2-1-3-8-12/h1-9,14H,13H2
InChIKeyRUYQFOIEMVGGQT-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)benzenesulfonamide?
The IUPAC name of N-(3-aminophenyl)benzenesulfonamide (CID 11849198) is N-(3-aminophenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)benzenesulfonamide?
The canonical SMILES for N-(3-aminophenyl)benzenesulfonamide is Nc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-aminophenyl)benzenesulfonamide?
The InChIKey is RUYQFOIEMVGGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c13-10-5-4-6-11(9-10)14-17(15,16)12-7-2-1-3-8-12/h1-9,14H,13H2.
What are the key properties of N-(3-aminophenyl)benzenesulfonamide?
N-(3-aminophenyl)benzenesulfonamide has a molecular weight of 248.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)benzenesulfonamide is sourced from PubChem (CID 11849198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).