4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide

C14H21NO2S — CID 11097522

IUPAC4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1
InChIInChI=1S/C14H21NO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-6-4-3-5-12(14)2/h7-10,12,14-15H,3-6H2,1-2H3/t12-,14-/m0/s1
InChIKeyZQRNOIJLBIHHLN-JSGCOSHPSA-N
MW267.39 g/mol
LogP2.85
Rot. Bonds3

About 4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide

4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide (PubChem CID 11097522) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
PubChem CID11097522
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1
InChIInChI=1S/C14H21NO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-6-4-3-5-12(14)2/h7-10,12,14-15H,3-6H2,1-2H3/t12-,14-/m0/s1
InChIKeyZQRNOIJLBIHHLN-JSGCOSHPSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
4-[(2-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958130
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-4-methylbenzenesulfonamide
CID 5247563

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide (CID 11097522) is 4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1.
What is the InChIKey of 4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide?
The InChIKey is ZQRNOIJLBIHHLN-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-6-4-3-5-12(14)2/h7-10,12,14-15H,3-6H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of 4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide?
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide has a molecular weight of 267.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 11097522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).