(3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C26H24ClFN2O5S — CID 98050950

IUPAC(3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1
InChIInChI=1S/C26H24ClFN2O5S/c1-35-23-12-10-20(28)15-24(23)36(33,34)30-13-5-8-18(16-30)26(32)29-22-11-9-19(27)14-21(22)25(31)17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15,18H,5,8,13,16H2,1H3,(H,29,32)/t18-/m0/s1
InChIKeyKRFMYUXHZAXNLM-SFHVURJKSA-N
MW531.01 g/mol
LogP4.76
Rot. Bonds7

About (3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide

(3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 98050950) has the molecular formula C26H24ClFN2O5S and a molecular weight of 531.01 g/mol. Its IUPAC name is (3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID98050950
Molecular FormulaC26H24ClFN2O5S
Molecular Weight531.01 g/mol
Exact Mass530.11
IUPAC Name(3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1
InChIInChI=1S/C26H24ClFN2O5S/c1-35-23-12-10-20(28)15-24(23)36(33,34)30-13-5-8-18(16-30)26(32)29-22-11-9-19(27)14-21(22)25(31)17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15,18H,5,8,13,16H2,1H3,(H,29,32)/t18-/m0/s1
InChIKeyKRFMYUXHZAXNLM-SFHVURJKSA-N
XLogP4.76
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.01
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-3-carboxamide
CID 28550561
N-(2,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872989
1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide
CID 16862444
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 2986070
N-(2-benzoyl-4-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863407
(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92671735
(3S)-N-(2,4-difluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126397123
(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 92689558
(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide
CID 125043565
1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 43872906
(3S)-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100671069
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 28550082

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 98050950) is (3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1.
What is the InChIKey of (3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is KRFMYUXHZAXNLM-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24ClFN2O5S/c1-35-23-12-10-20(28)15-24(23)36(33,34)30-13-5-8-18(16-30)26(32)29-22-11-9-19(27)14-21(22)25(31)17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15,18H,5,8,13,16H2,1H3,(H,29,32)/t18-/m0/s1.
What are the key properties of (3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
(3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 531.01 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 98050950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).