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

C22H25FN2O4S — CID 15816994

IUPACN-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)CCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H25FN2O4S/c1-30(28,29)24-20-8-4-16(5-9-20)21(26)12-15-25-13-10-18(11-14-25)22(27)17-2-6-19(23)7-3-17/h2-9,18,24H,10-15H2,1H3
InChIKeyHJONJRLVVKDIPW-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.36
Rot. Bonds8

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

N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide (PubChem CID 15816994) has the molecular formula C22H25FN2O4S and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide
PubChem CID15816994
Molecular FormulaC22H25FN2O4S
Molecular Weight432.52 g/mol
Exact Mass432.15
IUPAC NameN-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)CCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H25FN2O4S/c1-30(28,29)24-20-8-4-16(5-9-20)21(26)12-15-25-13-10-18(11-14-25)22(27)17-2-6-19(23)7-3-17/h2-9,18,24H,10-15H2,1H3
InChIKeyHJONJRLVVKDIPW-UHFFFAOYSA-N
XLogP3.36
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
CID 18998847
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
CID 43161158
4-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)butan-1-one
CID 71749765
N-[4-[1-(pyridin-3-ylmethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
CID 14130060
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-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 70605385
(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane
CID 158052051
N-[4-[2-[3-(4-chlorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
CID 18998840
N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110604230
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-one
CID 43793238

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide (CID 15816994) is N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)CCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide?
The InChIKey is HJONJRLVVKDIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4S/c1-30(28,29)24-20-8-4-16(5-9-20)21(26)12-15-25-13-10-18(11-14-25)22(27)17-2-6-19(23)7-3-17/h2-9,18,24H,10-15H2,1H3.
What are the key properties of N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide?
N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide has a molecular weight of 432.52 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 15816994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).