4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide

C21H27NO2S2 — CID 11014616

IUPAC4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide
SMILESCc1ccc(CS[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H27NO2S2/c1-16-7-11-18(12-8-16)15-25-21-6-4-3-5-20(21)22-26(23,24)19-13-9-17(2)10-14-19/h7-14,20-22H,3-6,15H2,1-2H3/t20-,21-/m1/s1
InChIKeyNSLRUKGYPRFCRP-NHCUHLMSSA-N
MW389.59 g/mol
LogP4.83
Rot. Bonds6

About 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide

4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide (PubChem CID 11014616) has the molecular formula C21H27NO2S2 and a molecular weight of 389.59 g/mol. Its IUPAC name is 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide
PubChem CID11014616
Molecular FormulaC21H27NO2S2
Molecular Weight389.59 g/mol
Exact Mass389.15
IUPAC Name4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide
SMILESCc1ccc(CS[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H27NO2S2/c1-16-7-11-18(12-8-16)15-25-21-6-4-3-5-20(21)22-26(23,24)19-13-9-17(2)10-14-19/h7-14,20-22H,3-6,15H2,1-2H3/t20-,21-/m1/s1
InChIKeyNSLRUKGYPRFCRP-NHCUHLMSSA-N
XLogP4.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.59
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide
CID 11544772
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001430
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-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide
CID 101252932
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide (CID 11014616) is 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide is Cc1ccc(CS[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide?
The InChIKey is NSLRUKGYPRFCRP-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H27NO2S2/c1-16-7-11-18(12-8-16)15-25-21-6-4-3-5-20(21)22-26(23,24)19-13-9-17(2)10-14-19/h7-14,20-22H,3-6,15H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide?
4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide has a molecular weight of 389.59 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 11014616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).