5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide

C22H28N2O3S — CID 2336391

IUPAC5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N3[C@H](C)CCC[C@H]3C)ccc2C)cc1
InChIInChI=1S/C22H28N2O3S/c1-15-8-12-20(13-9-15)23-28(26,27)21-14-19(11-10-16(21)2)22(25)24-17(3)6-5-7-18(24)4/h8-14,17-18,23H,5-7H2,1-4H3/t17-,18-/m1/s1
InChIKeyFPYXHRIONRJIBX-QZTJIDSGSA-N
MW400.54 g/mol
LogP4.51
Rot. Bonds4

About 5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide

5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 2336391) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID2336391
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N3[C@H](C)CCC[C@H]3C)ccc2C)cc1
InChIInChI=1S/C22H28N2O3S/c1-15-8-12-20(13-9-15)23-28(26,27)21-14-19(11-10-16(21)2)22(25)24-17(3)6-5-7-18(24)4/h8-14,17-18,23H,5-7H2,1-4H3/t17-,18-/m1/s1
InChIKeyFPYXHRIONRJIBX-QZTJIDSGSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 25390926
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 126414305
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023
N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 134014781
N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 4209618
N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24658420
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088
5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 119376231
[2-(cyclopentylamino)-2-oxoethyl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 42985250
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2229395

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide (CID 2336391) is 5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3[C@H](C)CCC[C@H]3C)ccc2C)cc1.
What is the InChIKey of 5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is FPYXHRIONRJIBX-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-15-8-12-20(13-9-15)23-28(26,27)21-14-19(11-10-16(21)2)22(25)24-17(3)6-5-7-18(24)4/h8-14,17-18,23H,5-7H2,1-4H3/t17-,18-/m1/s1.
What are the key properties of 5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide?
5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 400.54 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 2336391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).