1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid

C15H17FO4S — CID 117497632

IUPAC1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(S(=O)(=O)C3CC3)c(F)c2)CCCC1
InChIInChI=1S/C15H17FO4S/c16-12-9-10(15(14(17)18)7-1-2-8-15)3-6-13(12)21(19,20)11-4-5-11/h3,6,9,11H,1-2,4-5,7-8H2,(H,17,18)
InChIKeyWFTDEJIKSRFSAL-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.66
Rot. Bonds4

About 1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid

1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid (PubChem CID 117497632) has the molecular formula C15H17FO4S and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid
PubChem CID117497632
Molecular FormulaC15H17FO4S
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC Name1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(S(=O)(=O)C3CC3)c(F)c2)CCCC1
InChIInChI=1S/C15H17FO4S/c16-12-9-10(15(14(17)18)7-1-2-8-15)3-6-13(12)21(19,20)11-4-5-11/h3,6,9,11H,1-2,4-5,7-8H2,(H,17,18)
InChIKeyWFTDEJIKSRFSAL-UHFFFAOYSA-N
XLogP2.66
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664
[1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine
CID 117455576
1-[4-(difluoromethyl)-3-fluorophenyl]cyclobutane-1-carboxylic acid
CID 117361935
1-(3-methyl-4-methylsulfonylphenyl)cyclopentane-1-carboxylic acid
CID 117453832
1-(3-fluoro-4-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 84800517
1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid
CID 117457844
1-(3,5-difluoro-4-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117393695
(4-cyclopropylsulfonyl-3-fluorophenyl)methanol
CID 84693412
1-(3-fluoro-4-pentan-3-ylphenyl)cyclopentane-1-carboxylic acid
CID 117446490
1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid
CID 117465606
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-(3-methoxy-4-methylsulfonylphenyl)cyclobutane-1-carboxylic acid
CID 117457835

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid (CID 117497632) is 1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccc(S(=O)(=O)C3CC3)c(F)c2)CCCC1.
What is the InChIKey of 1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid?
The InChIKey is WFTDEJIKSRFSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO4S/c16-12-9-10(15(14(17)18)7-1-2-8-15)3-6-13(12)21(19,20)11-4-5-11/h3,6,9,11H,1-2,4-5,7-8H2,(H,17,18).
What are the key properties of 1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid?
1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid has a molecular weight of 312.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117497632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).