5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide

C22H28N2O3S — CID 24639837

IUPAC5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)cc(C)c1C
InChIInChI=1S/C22H28N2O3S/c1-16-13-20(15-21(17(16)2)28(26,27)23-3)22(25)24-11-9-19(10-12-24)14-18-7-5-4-6-8-18/h4-8,13,15,19,23H,9-12,14H2,1-3H3
InChIKeyQONIWGNEDWSJSB-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.31
Rot. Bonds5

About 5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide

5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide (PubChem CID 24639837) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide
PubChem CID24639837
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)cc(C)c1C
InChIInChI=1S/C22H28N2O3S/c1-16-13-20(15-21(17(16)2)28(26,27)23-3)22(25)24-11-9-19(10-12-24)14-18-7-5-4-6-8-18/h4-8,13,15,19,23H,9-12,14H2,1-3H3
InChIKeyQONIWGNEDWSJSB-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide
CID 9414275
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 27258264
5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide
CID 46349154
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 55986906
4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 9414267
5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119647652
(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 46086895
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
4-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-N-methylbenzenesulfonamide
CID 25326457
[3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone
CID 134016677

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide?
The IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide (CID 24639837) is 5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide?
The canonical SMILES for 5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)cc(C)c1C.
What is the InChIKey of 5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide?
The InChIKey is QONIWGNEDWSJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16-13-20(15-21(17(16)2)28(26,27)23-3)22(25)24-11-9-19(10-12-24)14-18-7-5-4-6-8-18/h4-8,13,15,19,23H,9-12,14H2,1-3H3.
What are the key properties of 5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide?
5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide has a molecular weight of 400.54 g/mol, XLogP of 3.31, 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)-N,2,3-trimethylbenzenesulfonamide is sourced from PubChem (CID 24639837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).