[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol

C19H20F2O3S — CID 58344321

IUPAC[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol
SMILESO=S(=O)(CC1CCC(CO)C1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2O3S/c20-16-5-8-18(19(21)10-16)15-3-6-17(7-4-15)25(23,24)12-14-2-1-13(9-14)11-22/h3-8,10,13-14,22H,1-2,9,11-12H2
InChIKeyWLSLDFJXQXNQRD-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.81
Rot. Bonds5

About [3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol

[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol (PubChem CID 58344321) has the molecular formula C19H20F2O3S and a molecular weight of 366.43 g/mol. Its IUPAC name is [3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol
PubChem CID58344321
Molecular FormulaC19H20F2O3S
Molecular Weight366.43 g/mol
Exact Mass366.11
IUPAC Name[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol
SMILESO=S(=O)(CC1CCC(CO)C1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2O3S/c20-16-5-8-18(19(21)10-16)15-3-6-17(7-4-15)25(23,24)12-14-2-1-13(9-14)11-22/h3-8,10,13-14,22H,1-2,9,11-12H2
InChIKeyWLSLDFJXQXNQRD-UHFFFAOYSA-N
XLogP3.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol
CID 58344310
1-[4-[[(1R)-3-tert-butylcyclopentyl]methylsulfonyl]phenyl]-2,4-difluorobenzene
CID 58344104
4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 58344134
4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine
CID 58344130
4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine
CID 58344182
4-[[4-(4-chloro-2-fluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol
CID 58344117
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)cyclopentyl]benzenesulfonamide;ethane;methyl 3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylate
CID 143959249
4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide
CID 129013622
4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide
CID 45279224
N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol
CID 143959250
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
1-[4-[[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]sulfonylmethyl]piperidin-1-yl]ethanone
CID 155231653

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol?
The IUPAC name of [3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol (CID 58344321) is [3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol.
What is the SMILES notation for [3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol?
The canonical SMILES for [3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol is O=S(=O)(CC1CCC(CO)C1)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of [3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol?
The InChIKey is WLSLDFJXQXNQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O3S/c20-16-5-8-18(19(21)10-16)15-3-6-17(7-4-15)25(23,24)12-14-2-1-13(9-14)11-22/h3-8,10,13-14,22H,1-2,9,11-12H2.
What are the key properties of [3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol?
[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol has a molecular weight of 366.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol is sourced from PubChem (CID 58344321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).