N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide

C20H25NO3S — CID 101495725

IUPACN-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide
SMILESCO[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H25NO3S/c1-15-11-13-17(14-12-15)25(22,23)21-18-9-6-10-19(24-2)20(18)16-7-4-3-5-8-16/h3-5,7-8,11-14,18-21H,6,9-10H2,1-2H3/t18-,19-,20+/m1/s1
InChIKeyVAXBRYDPDSRXRI-AQNXPRMDSA-N
MW359.49 g/mol
LogP3.62
Rot. Bonds5

About N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide

N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide (PubChem CID 101495725) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide
PubChem CID101495725
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide
SMILESCO[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H25NO3S/c1-15-11-13-17(14-12-15)25(22,23)21-18-9-6-10-19(24-2)20(18)16-7-4-3-5-8-16/h3-5,7-8,11-14,18-21H,6,9-10H2,1-2H3/t18-,19-,20+/m1/s1
InChIKeyVAXBRYDPDSRXRI-AQNXPRMDSA-N
XLogP3.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide
CID 62088805
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
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide
CID 110125489
4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide
CID 11544772
4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide
CID 11405210
4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide
CID 12032379
4-methyl-N-(2-prop-2-enoxycyclohexyl)benzenesulfonamide
CID 51355790
N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene
CID 87832086
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide (CID 101495725) is N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide is CO[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1.
What is the InChIKey of N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide?
The InChIKey is VAXBRYDPDSRXRI-AQNXPRMDSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-15-11-13-17(14-12-15)25(22,23)21-18-9-6-10-19(24-2)20(18)16-7-4-3-5-8-16/h3-5,7-8,11-14,18-21H,6,9-10H2,1-2H3/t18-,19-,20+/m1/s1.
What are the key properties of N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide?
N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide has a molecular weight of 359.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101495725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).