5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide

C20H23ClN2O3S — CID 9414275

IUPAC5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C20H23ClN2O3S/c1-22-27(25,26)19-14-17(7-8-18(19)21)20(24)23-11-9-16(10-12-23)13-15-5-3-2-4-6-15/h2-8,14,16,22H,9-13H2,1H3
InChIKeyLIQGKJWNFMUWAC-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.34
Rot. Bonds5

About 5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide

5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide (PubChem CID 9414275) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide
PubChem CID9414275
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C20H23ClN2O3S/c1-22-27(25,26)19-14-17(7-8-18(19)21)20(24)23-11-9-16(10-12-23)13-15-5-3-2-4-6-15/h2-8,14,16,22H,9-13H2,1H3
InChIKeyLIQGKJWNFMUWAC-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide
CID 24639837
[3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone
CID 134016677
5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912
5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2-chloro-N-methylbenzenesulfonamide
CID 9294647
5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide
CID 46349154
2-[4-[3-(benzylsulfamoyl)-4-chlorobenzoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 24642630
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 46086895
N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide
CID 24641891
4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 9414267
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide
CID 28632123

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide?
The IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide (CID 9414275) is 5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for 5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1Cl.
What is the InChIKey of 5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide?
The InChIKey is LIQGKJWNFMUWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-22-27(25,26)19-14-17(7-8-18(19)21)20(24)23-11-9-16(10-12-23)13-15-5-3-2-4-6-15/h2-8,14,16,22H,9-13H2,1H3.
What are the key properties of 5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide?
5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide has a molecular weight of 406.94 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 9414275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).