N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide

C21H26N2O3S — CID 4530287

IUPACN-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2C)c1
InChIInChI=1S/C21H26N2O3S/c1-15-7-8-16(2)19(13-15)22-27(25,26)20-14-18(10-9-17(20)3)21(24)23-11-5-4-6-12-23/h7-10,13-14,22H,4-6,11-12H2,1-3H3
InChIKeyDZGBIASDMXTUOH-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.04
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide

N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 4530287) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID4530287
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2C)c1
InChIInChI=1S/C21H26N2O3S/c1-15-7-8-16(2)19(13-15)22-27(25,26)20-14-18(10-9-17(20)3)21(24)23-11-5-4-6-12-23/h7-10,13-14,22H,4-6,11-12H2,1-3H3
InChIKeyDZGBIASDMXTUOH-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088
N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 9314553
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide
CID 46771981
3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
CID 961911
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35274603
2-methyl-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2236821
N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
2,4-dimethyl-N-[2-piperazin-1-yl-5-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 46333360
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2229395
N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 134014781

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide (CID 4530287) is N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is DZGBIASDMXTUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-7-8-16(2)19(13-15)22-27(25,26)20-14-18(10-9-17(20)3)21(24)23-11-5-4-6-12-23/h7-10,13-14,22H,4-6,11-12H2,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 4530287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).