N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

C21H26N2O3S — CID 109061527

IUPACN-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC(C)C3)cc2)c(C)c1
InChIInChI=1S/C21H26N2O3S/c1-15-6-11-20(17(3)13-15)22-27(25,26)19-9-7-18(8-10-19)21(24)23-12-4-5-16(2)14-23/h6-11,13,16,22H,4-5,12,14H2,1-3H3
InChIKeyUUKUVTVHPJKUDK-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.98
Rot. Bonds4

About N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109061527) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID109061527
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC(C)C3)cc2)c(C)c1
InChIInChI=1S/C21H26N2O3S/c1-15-6-11-20(17(3)13-15)22-27(25,26)19-9-7-18(8-10-19)21(24)23-12-4-5-16(2)14-23/h6-11,13,16,22H,4-5,12,14H2,1-3H3
InChIKeyUUKUVTVHPJKUDK-UHFFFAOYSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048965
N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061537
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24816556
N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18105340
4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 41368483
N-(2-methylphenyl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41283130
(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
CID 18159138
2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 41368476
4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380159
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048988
N-[4-(3-methylpiperidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 18160416

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 109061527) is N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC(C)C3)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is UUKUVTVHPJKUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-6-11-20(17(3)13-15)22-27(25,26)19-9-7-18(8-10-19)21(24)23-12-4-5-16(2)14-23/h6-11,13,16,22H,4-5,12,14H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109061527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).