1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene

C19H19F3O3S — CID 91166032

IUPAC1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene
SMILESCOC1CCC(S(=O)(=O)c2ccc(-c3ccccc3)cc2C(F)(F)F)C1
InChIInChI=1S/C19H19F3O3S/c1-25-15-8-9-16(12-15)26(23,24)18-10-7-14(11-17(18)19(20,21)22)13-5-3-2-4-6-13/h2-7,10-11,15-16H,8-9,12H2,1H3
InChIKeyQCEHLHAYTWNAEG-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.71
Rot. Bonds4

About 1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene

1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene (PubChem CID 91166032) has the molecular formula C19H19F3O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is 1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene
PubChem CID91166032
Molecular FormulaC19H19F3O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC Name1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene
SMILESCOC1CCC(S(=O)(=O)c2ccc(-c3ccccc3)cc2C(F)(F)F)C1
InChIInChI=1S/C19H19F3O3S/c1-25-15-8-9-16(12-15)26(23,24)18-10-7-14(11-17(18)19(20,21)22)13-5-3-2-4-6-13/h2-7,10-11,15-16H,8-9,12H2,1H3
InChIKeyQCEHLHAYTWNAEG-UHFFFAOYSA-N
XLogP4.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Difluoro(phenylsulfonyl)methyl)cyclopentyl 4-methylbenzenesulfonate
CID 163297719
3-[4-(4-Methylphenyl)-2-(trifluoromethyl)phenyl]sulfonylpropyl acetate
CID 56976542
1-Fluoro-4-[4-(2-methoxyethylsulfonyl)phenyl]-2-methylbenzene
CID 57189156
1-(2-Methoxyethylsulfonyl)-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 57296968
4-[[4-(2,4-Difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol
CID 58344215
4-[[4-(2,4-Difluorophenyl)-2-methylphenyl]sulfonylmethyl]cyclohexan-1-ol
CID 58344250
(1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol
CID 58344310
3-[4-[4-(3-Methylsulfonyloxypropyl)-2-(trifluoromethyl)phenyl]sulfanyl-3-(trifluoromethyl)phenyl]propyl methanesulfonate
CID 87538580
4-[3-[2-(Trifluoromethyl)phenyl]sulfonylcyclopentyl]oxythiane 1,1-dioxide
CID 90938215
1-(3-Cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene
CID 91115809
2-Fluoro-4-propan-2-yl-1-(3-propan-2-yloxycyclopentyl)sulfonylbenzene
CID 91193741
1-Hexylsulfonyl-4-phenyl-2-(trifluoromethyl)benzene
CID 123203695

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene (CID 91166032) is 1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene is COC1CCC(S(=O)(=O)c2ccc(-c3ccccc3)cc2C(F)(F)F)C1.
What is the InChIKey of 1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene?
The InChIKey is QCEHLHAYTWNAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O3S/c1-25-15-8-9-16(12-15)26(23,24)18-10-7-14(11-17(18)19(20,21)22)13-5-3-2-4-6-13/h2-7,10-11,15-16H,8-9,12H2,1H3.
What are the key properties of 1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene?
1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene has a molecular weight of 384.42 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 91166032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).