N-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide

C9H8F3N3O2S — CID 70369907

IUPACN-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide
SMILESCNS(=O)(=O)n1cnc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C9H8F3N3O2S/c1-13-18(16,17)15-5-14-7-3-2-6(4-8(7)15)9(10,11)12/h2-5,13H,1H3
InChIKeyMXYFABAWDXEVTG-UHFFFAOYSA-N
MW279.24 g/mol
LogP1.37
Rot. Bonds2

About N-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide

N-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide (PubChem CID 70369907) has the molecular formula C9H8F3N3O2S and a molecular weight of 279.24 g/mol. Its IUPAC name is N-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide
PubChem CID70369907
Molecular FormulaC9H8F3N3O2S
Molecular Weight279.24 g/mol
Exact Mass279.03
IUPAC NameN-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide
SMILESCNS(=O)(=O)n1cnc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C9H8F3N3O2S/c1-13-18(16,17)15-5-14-7-3-2-6(4-8(7)15)9(10,11)12/h2-5,13H,1H3
InChIKeyMXYFABAWDXEVTG-UHFFFAOYSA-N
XLogP1.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide?
The IUPAC name of N-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide (CID 70369907) is N-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide.
What is the SMILES notation for N-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide?
The canonical SMILES for N-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide is CNS(=O)(=O)n1cnc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide?
The InChIKey is MXYFABAWDXEVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2S/c1-13-18(16,17)15-5-14-7-3-2-6(4-8(7)15)9(10,11)12/h2-5,13H,1H3.
What are the key properties of N-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide?
N-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide has a molecular weight of 279.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide is sourced from PubChem (CID 70369907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).