2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide

C11H9F3N4O2S — CID 54531849

IUPAC2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(C#N)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H9F3N4O2S/c1-17(2)21(19,20)18-9-5-7(11(12,13)14)3-4-8(9)16-10(18)6-15/h3-5H,1-2H3
InChIKeyYXCIIOJSHVLEMQ-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.58
Rot. Bonds2

About 2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide

2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide (PubChem CID 54531849) has the molecular formula C11H9F3N4O2S and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide.

Molecular Properties

Compound Name2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide
PubChem CID54531849
Molecular FormulaC11H9F3N4O2S
Molecular Weight318.28 g/mol
Exact Mass318.04
IUPAC Name2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(C#N)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H9F3N4O2S/c1-17(2)21(19,20)18-9-5-7(11(12,13)14)3-4-8(9)16-10(18)6-15/h3-5H,1-2H3
InChIKeyYXCIIOJSHVLEMQ-UHFFFAOYSA-N
XLogP1.58
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-cyano-N,N-dimethylbenzimidazole-1-sulfonamide
CID 13268091
N-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide
CID 70369907
4-bromo-2-cyano-N,N-didecyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide
CID 151439347
2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
CID 156865270
4-chloro-2-cyano-N,N-dimethyl-5-(2-methylphenyl)imidazole-1-sulfonamide
CID 14455982
[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]-methylcarbamic acid
CID 68886779
2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide
CID 67867536
4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 71059782
2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole
CID 131948620
6-(trifluoromethyl)benzotriazol-1-amine
CID 123807461
4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide
CID 22737009
1-oxido-4-oxo-7-(trifluoromethyl)quinoxalin-4-ium-2-carbonitrile
CID 10491208

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide?
The IUPAC name of 2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide (CID 54531849) is 2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide.
What is the SMILES notation for 2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide?
The canonical SMILES for 2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1c(C#N)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide?
The InChIKey is YXCIIOJSHVLEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2S/c1-17(2)21(19,20)18-9-5-7(11(12,13)14)3-4-8(9)16-10(18)6-15/h3-5H,1-2H3.
What are the key properties of 2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide?
2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide has a molecular weight of 318.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide is sourced from PubChem (CID 54531849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).