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

C17H13ClF3N3O2S — CID 90379792

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H13ClF3N3O2S/c1-11-5-2-3-6-14(11)23-27(25,26)15-7-4-8-24(15)16-13(18)9-12(10-22-16)17(19,20)21/h2-10,23H,1H3
InChIKeyQELHOLRYORPBSJ-UHFFFAOYSA-N
MW415.82 g/mol
LogP4.65
Rot. Bonds4

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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide (PubChem CID 90379792) has the molecular formula C17H13ClF3N3O2S and a molecular weight of 415.82 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide
PubChem CID90379792
Molecular FormulaC17H13ClF3N3O2S
Molecular Weight415.82 g/mol
Exact Mass415.04
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H13ClF3N3O2S/c1-11-5-2-3-6-14(11)23-27(25,26)15-7-4-8-24(15)16-13(18)9-12(10-22-16)17(19,20)21/h2-10,23H,1H3
InChIKeyQELHOLRYORPBSJ-UHFFFAOYSA-N
XLogP4.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.82
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-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

Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide
CID 70138441
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide
CID 70138416
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]sulfonylpiperazine
CID 5102340
1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide
CID 157375331
2-bromo-1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanone
CID 87686993
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile
CID 3717416
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 143866892
[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbothioyl]amino]methylidene-dimethylazanium
CID 6346199
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide
CID 69086376
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(2,4,6-trichlorophenyl)pyrrole-2-carbohydrazide
CID 87686488
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide
CID 69084581
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide
CID 162601293

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide (CID 90379792) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide is Cc1ccccc1NS(=O)(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide?
The InChIKey is QELHOLRYORPBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O2S/c1-11-5-2-3-6-14(11)23-27(25,26)15-7-4-8-24(15)16-13(18)9-12(10-22-16)17(19,20)21/h2-10,23H,1H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide has a molecular weight of 415.82 g/mol, XLogP of 4.65, 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-(2-methylphenyl)pyrrole-2-sulfonamide is sourced from PubChem (CID 90379792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).