N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide

C20H22N2O4S — CID 19801797

IUPACN-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C2CCCN(C(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C20H22N2O4S/c1-27(25,26)21-18-11-9-15(10-12-18)19(23)17-8-5-13-22(14-17)20(24)16-6-3-2-4-7-16/h2-4,6-7,9-12,17,21H,5,8,13-14H2,1H3
InChIKeyYBAIKNHHMOYZDF-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.79
Rot. Bonds5

About N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide

N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide (PubChem CID 19801797) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide
PubChem CID19801797
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C2CCCN(C(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C20H22N2O4S/c1-27(25,26)21-18-11-9-15(10-12-18)19(23)17-8-5-13-22(14-17)20(24)16-6-3-2-4-7-16/h2-4,6-7,9-12,17,21H,5,8,13-14H2,1H3
InChIKeyYBAIKNHHMOYZDF-UHFFFAOYSA-N
XLogP2.79
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzoylpiperidine-3-carbonyl)benzonitrile
CID 142430135
N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
CID 43161158
1-[4-(methanesulfonamido)benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 163335934
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
ethyl (3S)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
CID 31469286
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173
N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
CID 18998847
1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate
CID 71852107
N-[4-[2-[3-(4-chlorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
CID 18998840
N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 115966226
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
[1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45205195

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide (CID 19801797) is N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)C2CCCN(C(=O)c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide?
The InChIKey is YBAIKNHHMOYZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-27(25,26)21-18-11-9-15(10-12-18)19(23)17-8-5-13-22(14-17)20(24)16-6-3-2-4-7-16/h2-4,6-7,9-12,17,21H,5,8,13-14H2,1H3.
What are the key properties of N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide?
N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 19801797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).