4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide

C21H17ClF3N3O3S — CID 122454722

IUPAC4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(C(=O)c3c(Cl)ccnc3C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C21H17ClF3N3O3S/c22-16-9-10-27-19(21(23,24)25)18(16)20(29)28-11-15(14-3-1-2-4-17(14)28)12-5-7-13(8-6-12)32(26,30)31/h5-11H,1-4H2,(H2,26,30,31)
InChIKeyPCRUUKCMZBOKOB-UHFFFAOYSA-N
MW483.90 g/mol
LogP4.44
Rot. Bonds3

About 4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide

4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide (PubChem CID 122454722) has the molecular formula C21H17ClF3N3O3S and a molecular weight of 483.90 g/mol. Its IUPAC name is 4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide
PubChem CID122454722
Molecular FormulaC21H17ClF3N3O3S
Molecular Weight483.90 g/mol
Exact Mass483.06
IUPAC Name4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(C(=O)c3c(Cl)ccnc3C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C21H17ClF3N3O3S/c22-16-9-10-27-19(21(23,24)25)18(16)20(29)28-11-15(14-3-1-2-4-17(14)28)12-5-7-13(8-6-12)32(26,30)31/h5-11H,1-4H2,(H2,26,30,31)
InChIKeyPCRUUKCMZBOKOB-UHFFFAOYSA-N
XLogP4.44
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.90
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide 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

N-[7-chloro-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 118204690
(1-Methylindol-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 17506417
US10301306, Example 162
CID 121432251
1-(3-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-N-piperidin-4-ylpyrrole-3-carboxamide
CID 177378682
{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}(1-methyl-1H-indol-3-yl)methanone
CID 26263689
(1-Ethylindol-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 99159974
(1-Benzylindol-3-yl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 137636110
[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-(1-propylindol-3-yl)methanone
CID 137643512
4-Chloro-N-[5-(2,3-dihydro-1H-indole-1-carbonyl)pyridin-3-YL]benzene-1-sulfonamide
CID 20910407
[4-(2,4-Difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 17537739
N-(3-Chloro-4-fluorophenyl)-4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-B]pyridin-6-YL}methyl)benzene-1-sulfonamide
CID 20914322
[4-(2,5-Difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 26418819

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide (CID 122454722) is 4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cn(C(=O)c3c(Cl)ccnc3C(F)(F)F)c3c2CCCC3)cc1.
What is the InChIKey of 4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide?
The InChIKey is PCRUUKCMZBOKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N3O3S/c22-16-9-10-27-19(21(23,24)25)18(16)20(29)28-11-15(14-3-1-2-4-17(14)28)12-5-7-13(8-6-12)32(26,30)31/h5-11H,1-4H2,(H2,26,30,31).
What are the key properties of 4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide?
4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide has a molecular weight of 483.90 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-chloro-2-(trifluoromethyl)pyridine-3-carbonyl]-4,5,6,7-tetrahydroindol-3-yl]benzenesulfonamide is sourced from PubChem (CID 122454722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).