1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine

C13H10ClN3O2S — CID 1088439

IUPAC1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine
SMILESNc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
InChIKeyWICYGIZRSNWVJD-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.51
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine

1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine (PubChem CID 1088439) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine
PubChem CID1088439
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine
SMILESNc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
InChIKeyWICYGIZRSNWVJD-UHFFFAOYSA-N
XLogP2.51
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine (CID 1088439) is 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine is Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine?
The InChIKey is WICYGIZRSNWVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16).
What are the key properties of 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine?
1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine has a molecular weight of 307.76 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine is sourced from PubChem (CID 1088439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).