2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide

C11H16F3N3O2S — CID 146143883

IUPAC2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC2(C(F)(F)F)CCCC2)n1C
InChIInChI=1S/C11H16F3N3O2S/c1-8-15-7-9(17(8)2)20(18,19)16-10(11(12,13)14)5-3-4-6-10/h7,16H,3-6H2,1-2H3
InChIKeyYQYRAQSDZXCGEW-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.88
Rot. Bonds3

About 2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide

2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide (PubChem CID 146143883) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide
PubChem CID146143883
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC2(C(F)(F)F)CCCC2)n1C
InChIInChI=1S/C11H16F3N3O2S/c1-8-15-7-9(17(8)2)20(18,19)16-10(11(12,13)14)5-3-4-6-10/h7,16H,3-6H2,1-2H3
InChIKeyYQYRAQSDZXCGEW-UHFFFAOYSA-N
XLogP1.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide?
The IUPAC name of 2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide (CID 146143883) is 2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide.
What is the SMILES notation for 2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide?
The canonical SMILES for 2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide is Cc1ncc(S(=O)(=O)NC2(C(F)(F)F)CCCC2)n1C.
What is the InChIKey of 2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide?
The InChIKey is YQYRAQSDZXCGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-8-15-7-9(17(8)2)20(18,19)16-10(11(12,13)14)5-3-4-6-10/h7,16H,3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide?
2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide has a molecular weight of 311.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide is sourced from PubChem (CID 146143883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).