2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide

C21H26N2O3S — CID 108566045

IUPAC2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3C)CC2)c1
InChIInChI=1S/C21H26N2O3S/c1-15-5-4-6-18(14-15)21(24)23-11-9-19(10-12-23)22-27(25,26)20-8-7-16(2)13-17(20)3/h4-8,13-14,19,22H,9-12H2,1-3H3
InChIKeyBDMPQWRDLMOEMQ-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.19
Rot. Bonds4

About 2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide

2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 108566045) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
PubChem CID108566045
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3C)CC2)c1
InChIInChI=1S/C21H26N2O3S/c1-15-5-4-6-18(14-15)21(24)23-11-9-19(10-12-23)22-27(25,26)20-8-7-16(2)13-17(20)3/h4-8,13-14,19,22H,9-12H2,1-3H3
InChIKeyBDMPQWRDLMOEMQ-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108565780
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 39659124
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566788
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566141
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108564771
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
CID 108563470
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108564145
N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide
CID 110632659
N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
CID 118768764
2,5-dimethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567274
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide (CID 108566045) is 2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide is Cc1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3C)CC2)c1.
What is the InChIKey of 2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is BDMPQWRDLMOEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-5-4-6-18(14-15)21(24)23-11-9-19(10-12-23)22-27(25,26)20-8-7-16(2)13-17(20)3/h4-8,13-14,19,22H,9-12H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide?
2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108566045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).