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

C18H18ClF3N4O3S — CID 27818132

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1
InChIInChI=1S/C18H18ClF3N4O3S/c19-15-9-12(18(20,21)22)10-24-16(15)26-7-5-11(6-8-26)17(27)25-13-1-3-14(4-2-13)30(23,28)29/h1-4,9-11H,5-8H2,(H,25,27)(H2,23,28,29)
InChIKeyDUTOHINDHUYGMN-UHFFFAOYSA-N
MW462.88 g/mol
LogP3.26
Rot. Bonds4

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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 27818132) 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-(4-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID27818132
Molecular FormulaC18H18ClF3N4O3S
Molecular Weight462.88 g/mol
Exact Mass462.07
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1
InChIInChI=1S/C18H18ClF3N4O3S/c19-15-9-12(18(20,21)22)10-24-16(15)26-7-5-11(6-8-26)17(27)25-13-1-3-14(4-2-13)30(23,28)29/h1-4,9-11H,5-8H2,(H,25,27)(H2,23,28,29)
InChIKeyDUTOHINDHUYGMN-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

(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
N-{4-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}acetamide
CID 669666
A-784168
CID 11420211
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
1-(3-Methylpyridin-2-yl)-N-(4-(trifluoromethylsulfonyl)phenyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 44579758
N-[4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953736
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
N-[4-[benzyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide
CID 1118249

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (CID 27818132) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is DUTOHINDHUYGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O3S/c19-15-9-12(18(20,21)22)10-24-16(15)26-7-5-11(6-8-26)17(27)25-13-1-3-14(4-2-13)30(23,28)29/h1-4,9-11H,5-8H2,(H,25,27)(H2,23,28,29).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-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-(4-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 27818132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).