1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide

C18H18ClF3N4O3S — CID 11576278

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1
InChIInChI=1S/C18H18ClF3N4O3S/c19-15-8-12(18(20,21)22)10-24-16(15)26-6-4-11(5-7-26)17(27)25-13-2-1-3-14(9-13)30(23,28)29/h1-3,8-11H,4-7H2,(H,25,27)(H2,23,28,29)
InChIKeyZOWKQRTYCZIIEU-UHFFFAOYSA-N
MW462.88 g/mol
LogP3.26
Rot. Bonds4

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 11576278) has the molecular formula C18H18ClF3N4O3S and a molecular weight of 462.88 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID11576278
Molecular FormulaC18H18ClF3N4O3S
Molecular Weight462.88 g/mol
Exact Mass462.07
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1
InChIInChI=1S/C18H18ClF3N4O3S/c19-15-8-12(18(20,21)22)10-24-16(15)26-6-4-11(5-7-26)17(27)25-13-2-1-3-14(9-13)30(23,28)29/h1-3,8-11H,4-7H2,(H,25,27)(H2,23,28,29)
InChIKeyZOWKQRTYCZIIEU-UHFFFAOYSA-N
XLogP3.26
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.88
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
CID 1124159
N-[4-({4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}sulfonyl)phenyl]acetamide
CID 2740568
1-(2-chloro-5-nitrophenyl)sulfonyl-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide
CID 4847604
1-(3-Chloropyridin-2-yl)-N-(4-(trifluoromethylsulfonyl)-phenyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 11247815
N-[4-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953864
N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953865
5-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525741
N-(4-{[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)amino]sulfonyl}phenyl)acetamide
CID 2766893
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3665299
(1-((4-Chlorophenyl)sulfonyl)piperidin-4-yl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
CID 16302915
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24686976
N-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 27868953

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide (CID 11576278) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide is NS(=O)(=O)c1cccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is ZOWKQRTYCZIIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O3S/c19-15-8-12(18(20,21)22)10-24-16(15)26-6-4-11(5-7-26)17(27)25-13-2-1-3-14(9-13)30(23,28)29/h1-3,8-11H,4-7H2,(H,25,27)(H2,23,28,29).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide has a molecular weight of 462.88 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 11576278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).