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

C9H10ClN3O2S — CID 86685792

IUPAC6-chloro-N,N-dimethylbenzimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc2ccc(Cl)cc21
InChIInChI=1S/C9H10ClN3O2S/c1-12(2)16(14,15)13-6-11-8-4-3-7(10)5-9(8)13/h3-6H,1-2H3
InChIKeyGHIVLGLEJBVSKK-UHFFFAOYSA-N
MW259.72 g/mol
LogP1.34
Rot. Bonds2

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

6-chloro-N,N-dimethylbenzimidazole-1-sulfonamide (PubChem CID 86685792) has the molecular formula C9H10ClN3O2S and a molecular weight of 259.72 g/mol. Its IUPAC name is 6-chloro-N,N-dimethylbenzimidazole-1-sulfonamide.

Molecular Properties

Compound Name6-chloro-N,N-dimethylbenzimidazole-1-sulfonamide
PubChem CID86685792
Molecular FormulaC9H10ClN3O2S
Molecular Weight259.72 g/mol
Exact Mass259.02
IUPAC Name6-chloro-N,N-dimethylbenzimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc2ccc(Cl)cc21
InChIInChI=1S/C9H10ClN3O2S/c1-12(2)16(14,15)13-6-11-8-4-3-7(10)5-9(8)13/h3-6H,1-2H3
InChIKeyGHIVLGLEJBVSKK-UHFFFAOYSA-N
XLogP1.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethylbenzimidazole-1-sulfonamide?
The IUPAC name of 6-chloro-N,N-dimethylbenzimidazole-1-sulfonamide (CID 86685792) is 6-chloro-N,N-dimethylbenzimidazole-1-sulfonamide.
What is the SMILES notation for 6-chloro-N,N-dimethylbenzimidazole-1-sulfonamide?
The canonical SMILES for 6-chloro-N,N-dimethylbenzimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1cnc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N,N-dimethylbenzimidazole-1-sulfonamide?
The InChIKey is GHIVLGLEJBVSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2S/c1-12(2)16(14,15)13-6-11-8-4-3-7(10)5-9(8)13/h3-6H,1-2H3.
What are the key properties of 6-chloro-N,N-dimethylbenzimidazole-1-sulfonamide?
6-chloro-N,N-dimethylbenzimidazole-1-sulfonamide has a molecular weight of 259.72 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethylbenzimidazole-1-sulfonamide is sourced from PubChem (CID 86685792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).