4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide

C10H14F2N4O2S — CID 114226827

IUPAC4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide
SMILESNS(=O)(=O)c1nnc(C2CCC(F)(F)C2)n1C1CC1
InChIInChI=1S/C10H14F2N4O2S/c11-10(12)4-3-6(5-10)8-14-15-9(19(13,17)18)16(8)7-1-2-7/h6-7H,1-5H2,(H2,13,17,18)
InChIKeyOAWIQSBYIKXOOZ-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.16
Rot. Bonds3

About 4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide

4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide (PubChem CID 114226827) has the molecular formula C10H14F2N4O2S and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide
PubChem CID114226827
Molecular FormulaC10H14F2N4O2S
Molecular Weight292.31 g/mol
Exact Mass292.08
IUPAC Name4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide
SMILESNS(=O)(=O)c1nnc(C2CCC(F)(F)C2)n1C1CC1
InChIInChI=1S/C10H14F2N4O2S/c11-10(12)4-3-6(5-10)8-14-15-9(19(13,17)18)16(8)7-1-2-7/h6-7H,1-5H2,(H2,13,17,18)
InChIKeyOAWIQSBYIKXOOZ-UHFFFAOYSA-N
XLogP1.16
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 103311343
4-Cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide
CID 103311344
5-(4,4-Difluorocyclohexyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 104018554
4-Cyclopropyl-5-(4,4-difluorocyclohexyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018824
4-Propan-2-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-sulfonamide
CID 104020852
5-(4,4-Difluorocyclohexyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 104020882
4-Cyclopropyl-5-(difluoromethyl)-1,2,4-triazole-3-sulfonamide
CID 104020937
4-Cyclopropyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-sulfonamide
CID 104021062
4-Cyclopropyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-sulfonamide
CID 104021125
4-Cyclopropyl-5-(4,4-difluorocyclohexyl)-1,2,4-triazole-3-sulfonamide
CID 104021154
4-Ethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazole-3-sulfonamide
CID 104021593
4-Ethyl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole-3-sulfonamide
CID 104021673

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide (CID 114226827) is 4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide is NS(=O)(=O)c1nnc(C2CCC(F)(F)C2)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is OAWIQSBYIKXOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O2S/c11-10(12)4-3-6(5-10)8-14-15-9(19(13,17)18)16(8)7-1-2-7/h6-7H,1-5H2,(H2,13,17,18).
What are the key properties of 4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide?
4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 292.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 114226827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).