4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide

C17H18ClF3N4O2S — CID 1214441

IUPAC4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H18ClF3N4O2S/c1-22-28(26,27)16-11-23-5-4-15(16)25-8-6-24(7-9-25)12-2-3-14(18)13(10-12)17(19,20)21/h2-5,10-11,22H,6-9H2,1H3
InChIKeyOGPAHBYNEJBWTE-UHFFFAOYSA-N
MW434.87 g/mol
LogP2.99
Rot. Bonds4

About 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide

4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide (PubChem CID 1214441) has the molecular formula C17H18ClF3N4O2S and a molecular weight of 434.87 g/mol. Its IUPAC name is 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide
PubChem CID1214441
Molecular FormulaC17H18ClF3N4O2S
Molecular Weight434.87 g/mol
Exact Mass434.08
IUPAC Name4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H18ClF3N4O2S/c1-22-28(26,27)16-11-23-5-4-15(16)25-8-6-24(7-9-25)12-2-3-14(18)13(10-12)17(19,20)21/h2-5,10-11,22H,6-9H2,1H3
InChIKeyOGPAHBYNEJBWTE-UHFFFAOYSA-N
XLogP2.99
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.87
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)cyclohexyl)pyridine-3-sulfonamide
CID 44435100
4-chloro-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 2426990
N-methyl-4-[4-(3-methylphenyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 901951
4-[4-(3-chlorophenyl)-1-piperazinyl]-N,N-diethyl-3-pyridinesulfonamide
CID 1214515
AJ-333/09219002
CID 4118683
4-chloro-N-3-pyridinyl-3-(trifluoromethyl)benzenesulfonamide
CID 889815
N-(4-chlorobenzylidene)-N-{4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]-1-piperazinyl}amine
CID 6877647
N-(2-(4-benzylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl)-4-chlorobenzenesulfonamide
CID 16806775
N-(((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)pyridine-3-sulfonamide
CID 46229864
4-(4-Benzylpiperazin-1-yl)pyridine-3-sulfonamide
CID 73346473
4-[4-(4-Chlorophenyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 73352539
4-[4-(2,5-Dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 73352540

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide (CID 1214441) is 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
The InChIKey is OGPAHBYNEJBWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4O2S/c1-22-28(26,27)16-11-23-5-4-15(16)25-8-6-24(7-9-25)12-2-3-14(18)13(10-12)17(19,20)21/h2-5,10-11,22H,6-9H2,1H3.
What are the key properties of 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide has a molecular weight of 434.87 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 1214441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).