(1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol

C18H18F2O3S — CID 58344310

IUPAC(1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol
SMILESO=S(=O)(CC1CC[C@@H](O)C1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H18F2O3S/c19-14-4-8-17(18(20)10-14)13-2-6-16(7-3-13)24(22,23)11-12-1-5-15(21)9-12/h2-4,6-8,10,12,15,21H,1,5,9,11H2/t12?,15-/m1/s1
InChIKeyMRBHDPWMWRPPKA-WPZCJLIBSA-N
MW352.40 g/mol
LogP3.57
Rot. Bonds4

About (1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol

(1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol (PubChem CID 58344310) has the molecular formula C18H18F2O3S and a molecular weight of 352.40 g/mol. Its IUPAC name is (1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol
PubChem CID58344310
Molecular FormulaC18H18F2O3S
Molecular Weight352.40 g/mol
Exact Mass352.09
IUPAC Name(1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol
SMILESO=S(=O)(CC1CC[C@@H](O)C1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H18F2O3S/c19-14-4-8-17(18(20)10-14)13-2-6-16(7-3-13)24(22,23)11-12-1-5-15(21)9-12/h2-4,6-8,10,12,15,21H,1,5,9,11H2/t12?,15-/m1/s1
InChIKeyMRBHDPWMWRPPKA-WPZCJLIBSA-N
XLogP3.57
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol
CID 58344321
1-[4-[[(1R)-3-tert-butylcyclopentyl]methylsulfonyl]phenyl]-2,4-difluorobenzene
CID 58344104
4-[[4-(4-chloro-2-fluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol
CID 58344117
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-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide
CID 129013622
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-[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 (1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol?
The IUPAC name of (1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol (CID 58344310) is (1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol.
What is the SMILES notation for (1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol?
The canonical SMILES for (1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol is O=S(=O)(CC1CC[C@@H](O)C1)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of (1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol?
The InChIKey is MRBHDPWMWRPPKA-WPZCJLIBSA-N. The full InChI is InChI=1S/C18H18F2O3S/c19-14-4-8-17(18(20)10-14)13-2-6-16(7-3-13)24(22,23)11-12-1-5-15(21)9-12/h2-4,6-8,10,12,15,21H,1,5,9,11H2/t12?,15-/m1/s1.
What are the key properties of (1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol?
(1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol has a molecular weight of 352.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol is sourced from PubChem (CID 58344310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).