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

C14H13N3O2S — CID 1088438

IUPAC1-(4-methylphenyl)sulfonylbenzimidazol-2-amine
SMILESCc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1
InChIInChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
InChIKeySRFABRWQVPCPRG-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.16
Rot. Bonds2

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

1-(4-methylphenyl)sulfonylbenzimidazol-2-amine (PubChem CID 1088438) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylbenzimidazol-2-amine
PubChem CID1088438
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name1-(4-methylphenyl)sulfonylbenzimidazol-2-amine
SMILESCc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1
InChIInChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
InChIKeySRFABRWQVPCPRG-UHFFFAOYSA-N
XLogP2.16
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylphenyl)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-methylphenyl)sulfonylbenzimidazol-2-amine?
The IUPAC name of 1-(4-methylphenyl)sulfonylbenzimidazol-2-amine (CID 1088438) is 1-(4-methylphenyl)sulfonylbenzimidazol-2-amine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylbenzimidazol-2-amine?
The canonical SMILES for 1-(4-methylphenyl)sulfonylbenzimidazol-2-amine is Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylbenzimidazol-2-amine?
The InChIKey is SRFABRWQVPCPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16).
What are the key properties of 1-(4-methylphenyl)sulfonylbenzimidazol-2-amine?
1-(4-methylphenyl)sulfonylbenzimidazol-2-amine has a molecular weight of 287.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylbenzimidazol-2-amine is sourced from PubChem (CID 1088438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).