1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide

C20H21FN2O4S — CID 55335097

IUPAC1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C20H21FN2O4S/c1-14(24)15-8-10-18(11-9-15)28(26,27)23-12-3-2-7-19(23)20(25)22-17-6-4-5-16(21)13-17/h4-6,8-11,13,19H,2-3,7,12H2,1H3,(H,22,25)
InChIKeyLMTHMVAMMDFBII-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.21
Rot. Bonds5

About 1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide

1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide (PubChem CID 55335097) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
PubChem CID55335097
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C20H21FN2O4S/c1-14(24)15-8-10-18(11-9-15)28(26,27)23-12-3-2-7-19(23)20(25)22-17-6-4-5-16(21)13-17/h4-6,8-11,13,19H,2-3,7,12H2,1H3,(H,22,25)
InChIKeyLMTHMVAMMDFBII-UHFFFAOYSA-N
XLogP3.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 92887679
N-(3-acetylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827874
(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779300
1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 18150594
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1468399
(2S)-1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 40799614
1-(4-fluorophenyl)sulfonyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 43019338
(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8760667
1-(4-acetylphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-2-carboxamide
CID 55359494
1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 60539561
1-(4-acetylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-2-carboxamide
CID 55333838

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide (CID 55335097) is 1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide?
The InChIKey is LMTHMVAMMDFBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c1-14(24)15-8-10-18(11-9-15)28(26,27)23-12-3-2-7-19(23)20(25)22-17-6-4-5-16(21)13-17/h4-6,8-11,13,19H,2-3,7,12H2,1H3,(H,22,25).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide has a molecular weight of 404.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 55335097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).