5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide

C23H31N3O3S — CID 46349154

IUPAC5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H31N3O3S/c1-24(2)21-11-10-20(17-22(21)30(28,29)25(3)4)23(27)26-14-12-19(13-15-26)16-18-8-6-5-7-9-18/h5-11,17,19H,12-16H2,1-4H3
InChIKeySXDVGJKLWPRVRN-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.10
Rot. Bonds6

About 5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide

5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 46349154) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID46349154
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H31N3O3S/c1-24(2)21-11-10-20(17-22(21)30(28,29)25(3)4)23(27)26-14-12-19(13-15-26)16-18-8-6-5-7-9-18/h5-11,17,19H,12-16H2,1-4H3
InChIKeySXDVGJKLWPRVRN-UHFFFAOYSA-N
XLogP3.10
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 9414267
5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide
CID 9414275
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid
CID 99988945
5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide
CID 24639837
[3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone
CID 134016677
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 5214923
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 46086895
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide (CID 46349154) is 5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide is CN(C)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is SXDVGJKLWPRVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-24(2)21-11-10-20(17-22(21)30(28,29)25(3)4)23(27)26-14-12-19(13-15-26)16-18-8-6-5-7-9-18/h5-11,17,19H,12-16H2,1-4H3.
What are the key properties of 5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide?
5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 429.59 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 46349154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).