1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide

C25H23ClN2O4S — CID 16862444

IUPAC1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C25H23ClN2O4S/c26-20-13-14-23(22(16-20)24(29)18-8-3-1-4-9-18)27-25(30)19-10-7-15-28(17-19)33(31,32)21-11-5-2-6-12-21/h1-6,8-9,11-14,16,19H,7,10,15,17H2,(H,27,30)
InChIKeyDUGOHWWEMMHZFF-UHFFFAOYSA-N
MW482.99 g/mol
LogP4.61
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide (PubChem CID 16862444) has the molecular formula C25H23ClN2O4S and a molecular weight of 482.99 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide
PubChem CID16862444
Molecular FormulaC25H23ClN2O4S
Molecular Weight482.99 g/mol
Exact Mass482.11
IUPAC Name1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C25H23ClN2O4S/c26-20-13-14-23(22(16-20)24(29)18-8-3-1-4-9-18)27-25(30)19-10-7-15-28(17-19)33(31,32)21-11-5-2-6-12-21/h1-6,8-9,11-14,16,19H,7,10,15,17H2,(H,27,30)
InChIKeyDUGOHWWEMMHZFF-UHFFFAOYSA-N
XLogP4.61
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863407
(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92671735
(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 92689558
(3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98050950
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16863410
N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829294
1-(benzenesulfonyl)-N-(2,5-difluorophenyl)piperidine-3-carboxamide
CID 43872856
1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
CID 43042431
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
(3R)-1-(benzenesulfonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 28550001
N-(2-acetylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 42936626
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide
CID 55511757

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide (CID 16862444) is 1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide is O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide?
The InChIKey is DUGOHWWEMMHZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O4S/c26-20-13-14-23(22(16-20)24(29)18-8-3-1-4-9-18)27-25(30)19-10-7-15-28(17-19)33(31,32)21-11-5-2-6-12-21/h1-6,8-9,11-14,16,19H,7,10,15,17H2,(H,27,30).
What are the key properties of 1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide has a molecular weight of 482.99 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 16862444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).