3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide

C15H23NO2S — CID 1256393

IUPAC3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1C
InChIInChI=1S/C15H23NO2S/c1-11-8-9-14(10-13(11)3)19(17,18)16-15-7-5-4-6-12(15)2/h8-10,12,15-16H,4-7H2,1-3H3/t12-,15-/m1/s1
InChIKeyPHRCACXABFRXCW-IUODEOHRSA-N
MW281.42 g/mol
LogP3.16
Rot. Bonds3

About 3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide

3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide (PubChem CID 1256393) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
PubChem CID1256393
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1C
InChIInChI=1S/C15H23NO2S/c1-11-8-9-14(10-13(11)3)19(17,18)16-15-7-5-4-6-12(15)2/h8-10,12,15-16H,4-7H2,1-3H3/t12-,15-/m1/s1
InChIKeyPHRCACXABFRXCW-IUODEOHRSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide
CID 114297346
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide
CID 114189412
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
4-[(2-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958130
4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7389210
N-(2-methylcyclohexyl)-9,10-dioxoanthracene-2-sulfonamide
CID 172880571
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 50876225
3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
CID 115421698
3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277889

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide (CID 1256393) is 3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide?
The InChIKey is PHRCACXABFRXCW-IUODEOHRSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-8-9-14(10-13(11)3)19(17,18)16-15-7-5-4-6-12(15)2/h8-10,12,15-16H,4-7H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of 3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide?
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide has a molecular weight of 281.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 1256393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).