N-(4-aminophenyl)-4-chlorobenzenesulfonamide

C12H11ClN2O2S — CID 4651464

IUPACN-(4-aminophenyl)-4-chlorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H11ClN2O2S/c13-9-1-7-12(8-2-9)18(16,17)15-11-5-3-10(14)4-6-11/h1-8,15H,14H2
InChIKeyZEXMYNXHUJMAQE-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.72
Rot. Bonds3

About N-(4-aminophenyl)-4-chlorobenzenesulfonamide

N-(4-aminophenyl)-4-chlorobenzenesulfonamide (PubChem CID 4651464) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-chlorobenzenesulfonamide
PubChem CID4651464
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC NameN-(4-aminophenyl)-4-chlorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H11ClN2O2S/c13-9-1-7-12(8-2-9)18(16,17)15-11-5-3-10(14)4-6-11/h1-8,15H,14H2
InChIKeyZEXMYNXHUJMAQE-UHFFFAOYSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(4-aminophenyl)-4-chlorobenzenesulfonamide (CID 4651464) is N-(4-aminophenyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-aminophenyl)-4-chlorobenzenesulfonamide is Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-chlorobenzenesulfonamide?
The InChIKey is ZEXMYNXHUJMAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-9-1-7-12(8-2-9)18(16,17)15-11-5-3-10(14)4-6-11/h1-8,15H,14H2.
What are the key properties of N-(4-aminophenyl)-4-chlorobenzenesulfonamide?
N-(4-aminophenyl)-4-chlorobenzenesulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 4651464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).