1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene

C24H30O3S — CID 155297824

IUPAC1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene
SMILESO=S(=O)(c1ccccc1)C1(c2ccc(OCC3CCCCC3)cc2)CCCC1
InChIInChI=1S/C24H30O3S/c25-28(26,23-11-5-2-6-12-23)24(17-7-8-18-24)21-13-15-22(16-14-21)27-19-20-9-3-1-4-10-20/h2,5-6,11-16,20H,1,3-4,7-10,17-19H2
InChIKeyIBJMMJGGUGLXEB-UHFFFAOYSA-N
MW398.57 g/mol
LogP5.89
Rot. Bonds6

About 1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene

1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene (PubChem CID 155297824) has the molecular formula C24H30O3S and a molecular weight of 398.57 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene
PubChem CID155297824
Molecular FormulaC24H30O3S
Molecular Weight398.57 g/mol
Exact Mass398.19
IUPAC Name1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene
SMILESO=S(=O)(c1ccccc1)C1(c2ccc(OCC3CCCCC3)cc2)CCCC1
InChIInChI=1S/C24H30O3S/c25-28(26,23-11-5-2-6-12-23)24(17-7-8-18-24)21-13-15-22(16-14-21)27-19-20-9-3-1-4-10-20/h2,5-6,11-16,20H,1,3-4,7-10,17-19H2
InChIKeyIBJMMJGGUGLXEB-UHFFFAOYSA-N
XLogP5.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.57
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexylmethoxybenzene
CID 14399287
1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
4-(cyclopentylmethoxy)benzenesulfonyl chloride
CID 61343179
1-fluoro-2-[[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenoxy]methyl]benzene
CID 155297823
1-[1-(benzenesulfonyl)cyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene
CID 150543071
cyclopropylmethoxybenzene
CID 12712156
1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine
CID 117309901
2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine
CID 25256104
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol
CID 117292728
(4-ethylphenoxy)methylcycloheptane
CID 142027305
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene?
The IUPAC name of 1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene (CID 155297824) is 1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene.
What is the SMILES notation for 1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene?
The canonical SMILES for 1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene is O=S(=O)(c1ccccc1)C1(c2ccc(OCC3CCCCC3)cc2)CCCC1.
What is the InChIKey of 1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene?
The InChIKey is IBJMMJGGUGLXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O3S/c25-28(26,23-11-5-2-6-12-23)24(17-7-8-18-24)21-13-15-22(16-14-21)27-19-20-9-3-1-4-10-20/h2,5-6,11-16,20H,1,3-4,7-10,17-19H2.
What are the key properties of 1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene?
1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene has a molecular weight of 398.57 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene is sourced from PubChem (CID 155297824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).