1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide

C17H12ClF4N3O2S — CID 70138441

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)ccc1F
InChIInChI=1S/C17H12ClF4N3O2S/c1-10-7-12(4-5-14(10)19)24-28(26,27)15-3-2-6-25(15)16-13(18)8-11(9-23-16)17(20,21)22/h2-9,24H,1H3
InChIKeyAJKNOMHALFOBKY-UHFFFAOYSA-N
MW433.81 g/mol
LogP4.79
Rot. Bonds4

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide (PubChem CID 70138441) has the molecular formula C17H12ClF4N3O2S and a molecular weight of 433.81 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide
PubChem CID70138441
Molecular FormulaC17H12ClF4N3O2S
Molecular Weight433.81 g/mol
Exact Mass433.03
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)ccc1F
InChIInChI=1S/C17H12ClF4N3O2S/c1-10-7-12(4-5-14(10)19)24-28(26,27)15-3-2-6-25(15)16-13(18)8-11(9-23-16)17(20,21)22/h2-9,24H,1H3
InChIKeyAJKNOMHALFOBKY-UHFFFAOYSA-N
XLogP4.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.81
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-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 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide (CID 70138441) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide is Cc1cc(NS(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)ccc1F.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide?
The InChIKey is AJKNOMHALFOBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF4N3O2S/c1-10-7-12(4-5-14(10)19)24-28(26,27)15-3-2-6-25(15)16-13(18)8-11(9-23-16)17(20,21)22/h2-9,24H,1H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide has a molecular weight of 433.81 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide is sourced from PubChem (CID 70138441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).