1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide

C19H21FN2O3S — CID 1078408

IUPAC1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O3S/c1-14-3-2-4-17(13-14)21-19(23)15-9-11-22(12-10-15)26(24,25)18-7-5-16(20)6-8-18/h2-8,13,15H,9-12H2,1H3,(H,21,23)
InChIKeyRSPWXYADXCLYNB-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.17
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide (PubChem CID 1078408) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
PubChem CID1078408
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O3S/c1-14-3-2-4-17(13-14)21-19(23)15-9-11-22(12-10-15)26(24,25)18-7-5-16(20)6-8-18/h2-8,13,15H,9-12H2,1H3,(H,21,23)
InChIKeyRSPWXYADXCLYNB-UHFFFAOYSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 26914170
1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 8802762
1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 100652108
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
1-(4-fluorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294766
1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 24687006
N-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55796487
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
N-(3-methylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22519320
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide (CID 1078408) is 1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide?
The InChIKey is RSPWXYADXCLYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-3-2-4-17(13-14)21-19(23)15-9-11-22(12-10-15)26(24,25)18-7-5-16(20)6-8-18/h2-8,13,15H,9-12H2,1H3,(H,21,23).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 1078408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).