6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide

C10H9ClN4O2S — CID 13268091

IUPAC6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(C#N)nc2ccc(Cl)cc21
InChIInChI=1S/C10H9ClN4O2S/c1-14(2)18(16,17)15-9-5-7(11)3-4-8(9)13-10(15)6-12/h3-5H,1-2H3
InChIKeyBEZGISVDTFOPKY-UHFFFAOYSA-N
MW284.73 g/mol
LogP1.22
Rot. Bonds2

About 6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide

6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide (PubChem CID 13268091) has the molecular formula C10H9ClN4O2S and a molecular weight of 284.73 g/mol. Its IUPAC name is 6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide
PubChem CID13268091
Molecular FormulaC10H9ClN4O2S
Molecular Weight284.73 g/mol
Exact Mass284.01
IUPAC Name6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(C#N)nc2ccc(Cl)cc21
InChIInChI=1S/C10H9ClN4O2S/c1-14(2)18(16,17)15-9-5-7(11)3-4-8(9)13-10(15)6-12/h3-5H,1-2H3
InChIKeyBEZGISVDTFOPKY-UHFFFAOYSA-N
XLogP1.22
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.73
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide 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 6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide?
The IUPAC name of 6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide (CID 13268091) is 6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide.
What is the SMILES notation for 6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide?
The canonical SMILES for 6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1c(C#N)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide?
The InChIKey is BEZGISVDTFOPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S/c1-14(2)18(16,17)15-9-5-7(11)3-4-8(9)13-10(15)6-12/h3-5H,1-2H3.
What are the key properties of 6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide?
6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide has a molecular weight of 284.73 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide is sourced from PubChem (CID 13268091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).