N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide

C21H23FN2O4S — CID 18998847

IUPACN-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)CN2CCCC(C(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H23FN2O4S/c1-29(27,28)23-19-10-6-15(7-11-19)20(25)14-24-12-2-3-17(13-24)21(26)16-4-8-18(22)9-5-16/h4-11,17,23H,2-3,12-14H2,1H3
InChIKeyJTABYJTVMBUCBC-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.97
Rot. Bonds7

About N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide

N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide (PubChem CID 18998847) has the molecular formula C21H23FN2O4S and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
PubChem CID18998847
Molecular FormulaC21H23FN2O4S
Molecular Weight418.49 g/mol
Exact Mass418.14
IUPAC NameN-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)CN2CCCC(C(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H23FN2O4S/c1-29(27,28)23-19-10-6-15(7-11-19)20(25)14-24-12-2-3-17(13-24)21(26)16-4-8-18(22)9-5-16/h4-11,17,23H,2-3,12-14H2,1H3
InChIKeyJTABYJTVMBUCBC-UHFFFAOYSA-N
XLogP2.97
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[3-(4-chlorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
CID 18998840
N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide
CID 15816994
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 103196893
N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
CID 43161158
1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 154746801
N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide
CID 19801797
(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone
CID 111436466
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587715
N-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide
CID 14130136
N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide
CID 62907557
N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide
CID 75472604

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide (CID 18998847) is N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)CN2CCCC(C(=O)c3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide?
The InChIKey is JTABYJTVMBUCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4S/c1-29(27,28)23-19-10-6-15(7-11-19)20(25)14-24-12-2-3-17(13-24)21(26)16-4-8-18(22)9-5-16/h4-11,17,23H,2-3,12-14H2,1H3.
What are the key properties of N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide?
N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide has a molecular weight of 418.49 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide is sourced from PubChem (CID 18998847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).