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

C19H21FN2O3S — CID 90589838

IUPAC4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-14-2-6-16(7-3-14)21-19(23)22-12-10-18(11-13-22)26(24,25)17-8-4-15(20)5-9-17/h2-9,18H,10-13H2,1H3,(H,21,23)
InChIKeyGHPQBNHEUJRTGW-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.60
Rot. Bonds3

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

4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 90589838) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID90589838
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-14-2-6-16(7-3-14)21-19(23)22-12-10-18(11-13-22)26(24,25)17-8-4-15(20)5-9-17/h2-9,18H,10-13H2,1H3,(H,21,23)
InChIKeyGHPQBNHEUJRTGW-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide
CID 90589813
3-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90587847
(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 97354940
N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide
CID 138992828
4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide
CID 24731921
N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591984
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187
4-(4-fluorophenyl)sulfonyl-3-N-methyl-1-N-(4-methylphenyl)piperazine-1,3-dicarboxamide
CID 134084972
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide (CID 90589838) is 4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is GHPQBNHEUJRTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-2-6-16(7-3-14)21-19(23)22-12-10-18(11-13-22)26(24,25)17-8-4-15(20)5-9-17/h2-9,18H,10-13H2,1H3,(H,21,23).
What are the key properties of 4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide?
4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 90589838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).