5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide

C11H8ClF3N2O2S2 — CID 1486183

IUPAC5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C11H8ClF3N2O2S2/c12-8-3-6(11(13,14)15)5-17-9(8)4-7-1-2-10(20-7)21(16,18)19/h1-3,5H,4H2,(H2,16,18,19)
InChIKeySIAVQPWAWBCQJA-UHFFFAOYSA-N
MW356.78 g/mol
LogP3.05
Rot. Bonds3

About 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide

5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide (PubChem CID 1486183) has the molecular formula C11H8ClF3N2O2S2 and a molecular weight of 356.78 g/mol. Its IUPAC name is 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide
PubChem CID1486183
Molecular FormulaC11H8ClF3N2O2S2
Molecular Weight356.78 g/mol
Exact Mass355.97
IUPAC Name5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C11H8ClF3N2O2S2/c12-8-3-6(11(13,14)15)5-17-9(8)4-7-1-2-10(20-7)21(16,18)19/h1-3,5H,4H2,(H2,16,18,19)
InChIKeySIAVQPWAWBCQJA-UHFFFAOYSA-N
XLogP3.05
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide (CID 1486183) is 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1.
What is the InChIKey of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide?
The InChIKey is SIAVQPWAWBCQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O2S2/c12-8-3-6(11(13,14)15)5-17-9(8)4-7-1-2-10(20-7)21(16,18)19/h1-3,5H,4H2,(H2,16,18,19).
What are the key properties of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide?
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide has a molecular weight of 356.78 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 1486183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).