1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide

C20H23FN2O3S — CID 32680304

IUPAC1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide
SMILESO=C(c1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)cc1)N1CCCCC1
InChIInChI=1S/C20H23FN2O3S/c21-19-10-6-17(7-11-19)15-27(25,26)22-14-16-4-8-18(9-5-16)20(24)23-12-2-1-3-13-23/h4-11,22H,1-3,12-15H2
InChIKeySFMBOWPPUQDNKA-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.07
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide (PubChem CID 32680304) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide
PubChem CID32680304
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide
SMILESO=C(c1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)cc1)N1CCCCC1
InChIInChI=1S/C20H23FN2O3S/c21-19-10-6-17(7-11-19)15-27(25,26)22-14-16-4-8-18(9-5-16)20(24)23-12-2-1-3-13-23/h4-11,22H,1-3,12-15H2
InChIKeySFMBOWPPUQDNKA-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide (CID 32680304) is 1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide is O=C(c1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)cc1)N1CCCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide?
The InChIKey is SFMBOWPPUQDNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c21-19-10-6-17(7-11-19)15-27(25,26)22-14-16-4-8-18(9-5-16)20(24)23-12-2-1-3-13-23/h4-11,22H,1-3,12-15H2.
What are the key properties of 1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide has a molecular weight of 390.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 32680304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).