2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide

C15H23NO4S — CID 768909

IUPAC2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1
InChIInChI=1S/C15H23NO4S/c1-11-6-4-5-7-13(11)16-21(17,18)15-10-12(19-2)8-9-14(15)20-3/h8-11,13,16H,4-7H2,1-3H3/t11-,13-/m1/s1
InChIKeyYBESPLHEOCGMTK-DGCLKSJQSA-N
MW313.42 g/mol
LogP2.56
Rot. Bonds5

About 2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide

2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide (PubChem CID 768909) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
PubChem CID768909
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1
InChIInChI=1S/C15H23NO4S/c1-11-6-4-5-7-13(11)16-21(17,18)15-10-12(19-2)8-9-14(15)20-3/h8-11,13,16H,4-7H2,1-3H3/t11-,13-/m1/s1
InChIKeyYBESPLHEOCGMTK-DGCLKSJQSA-N
XLogP2.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116300
5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7343981
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
CID 2466564
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
cyanomethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 46607885
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42997848
4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 30282957
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 42997457
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 18141546
4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7389210

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide (CID 768909) is 2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide?
The InChIKey is YBESPLHEOCGMTK-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11-6-4-5-7-13(11)16-21(17,18)15-10-12(19-2)8-9-14(15)20-3/h8-11,13,16H,4-7H2,1-3H3/t11-,13-/m1/s1.
What are the key properties of 2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide?
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 768909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).