[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone

C24H18ClF5N2O3S — CID 70685475

IUPAC[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1ncccc1C(F)(F)F)N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H18ClF5N2O3S/c25-15-3-6-17(7-4-15)36(34,35)23(19-14-16(26)5-8-20(19)27)9-12-32(13-10-23)22(33)21-18(24(28,29)30)2-1-11-31-21/h1-8,11,14H,9-10,12-13H2
InChIKeyXSLNGFKYBKVQSF-UHFFFAOYSA-N
MW544.93 g/mol
LogP5.64
Rot. Bonds4

About [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone

[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 70685475) has the molecular formula C24H18ClF5N2O3S and a molecular weight of 544.93 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID70685475
Molecular FormulaC24H18ClF5N2O3S
Molecular Weight544.93 g/mol
Exact Mass544.06
IUPAC Name[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1ncccc1C(F)(F)F)N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H18ClF5N2O3S/c25-15-3-6-17(7-4-15)36(34,35)23(19-14-16(26)5-8-20(19)27)9-12-32(13-10-23)22(33)21-18(24(28,29)30)2-1-11-31-21/h1-8,11,14H,9-10,12-13H2
InChIKeyXSLNGFKYBKVQSF-UHFFFAOYSA-N
XLogP5.64
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.93
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridine amide, 17
CID 44236985
Pyridine amide, 19
CID 44236987
[4-(4-Chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 70683379
[4-(4-Chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]methanone
CID 70695996
2-(4-Chlorophenyl)-1-[4-(4-methylsulfonylphenyl)piperazin-1-yl]-2-pyridin-3-ylethanone
CID 76321102
N-[4-(2-Chloro-phenyl)-pyridin-3-yl]-3-methanesulfonyl-N-methyl-5-trifluoromethyl-benzamide
CID 70663342
N-[4-(2-Chloro-phenyl)-pyridin-3-yl]-3-methanesulfonyl-N-(2,2,2-trifluoro-ethyl)-5-trifluoromethyl-benzamide
CID 86670815
N-[4-(2-Chloro-phenyl)-6-methyl-pyridin-3-yl]-3-methanesulfonyl-N-(2,2,2-trifluoro-ethyl)-5-trifluoromethyl-benzamide
CID 86670819
N-[(3S)-1-[[2-Chloro-4-[(5-chloro-2-ethylsulfonylphenyl)methylcarbamoyl]-6-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyridin-2-carboxamide
CID 89879850
N-[(5-Chloro-2-ethylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 89879956
US9963434, Table 12.6
CID 117977575
US10385022, Example 296
CID 70663387

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone (CID 70685475) is [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone is O=C(c1ncccc1C(F)(F)F)N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is XSLNGFKYBKVQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF5N2O3S/c25-15-3-6-17(7-4-15)36(34,35)23(19-14-16(26)5-8-20(19)27)9-12-32(13-10-23)22(33)21-18(24(28,29)30)2-1-11-31-21/h1-8,11,14H,9-10,12-13H2.
What are the key properties of [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone?
[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 544.93 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 70685475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).