4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid

C20H27FO4S — CID 143864063

IUPAC4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid
SMILESC=C[C@@](C)(F)c1ccccc1S(=O)(=O)C1CCCCC1CCCC(=O)O
InChIInChI=1S/C20H27FO4S/c1-3-20(2,21)16-11-5-7-13-18(16)26(24,25)17-12-6-4-9-15(17)10-8-14-19(22)23/h3,5,7,11,13,15,17H,1,4,6,8-10,12,14H2,2H3,(H,22,23)/t15?,17?,20-/m1/s1
InChIKeyOYDASDMVFNEISN-MKJPBZQASA-N
MW382.50 g/mol
LogP4.64
Rot. Bonds8

About 4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid

4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid (PubChem CID 143864063) has the molecular formula C20H27FO4S and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid.

Molecular Properties

Compound Name4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid
PubChem CID143864063
Molecular FormulaC20H27FO4S
Molecular Weight382.50 g/mol
Exact Mass382.16
IUPAC Name4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid
SMILESC=C[C@@](C)(F)c1ccccc1S(=O)(=O)C1CCCCC1CCCC(=O)O
InChIInChI=1S/C20H27FO4S/c1-3-20(2,21)16-11-5-7-13-18(16)26(24,25)17-12-6-4-9-15(17)10-8-14-19(22)23/h3,5,7,11,13,15,17H,1,4,6,8-10,12,14H2,2H3,(H,22,23)/t15?,17?,20-/m1/s1
InChIKeyOYDASDMVFNEISN-MKJPBZQASA-N
XLogP4.64
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sulindac Sulfone
CID 5472495
[2-(Biphenyl-4-sulfonyl)phenyl]acetic Acid
CID 44479701
(Z)-5-Fluoro-2-methyl-1-[p-(methylsulfonyl)benzylidene]indene-3-acetic acid
CID 6158261
3-(4''-(Ethylsulfonyl)-2''-methyl-5-(trifluoromethyl)biphenyl-2-yl)propanoic acid
CID 11574877
2-[6-Fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid
CID 114866
(2R)-3-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 44390519
2-[2-[4-(4-Fluorophenyl)phenyl]sulfonylphenyl]acetic acid
CID 71602248
{5-Fluoro-2-[(4-isopropylphenyl)sulfanyl]phenyl}acetic acid
CID 826460
Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-
CID 210783
3-[4-(Methylsulfonyl)phenyl]propanoic acid
CID 2736960
(+/-)-2-[2-(Biphenyl-4-sulfonyl)phenyl]propionic Acid
CID 44479702
(E)-2-(5-Fluoro-1-(4-(methylsulfonyl)benzylidene)-1H-inden-3-yl)ethanoic acid
CID 11710179

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid?
The IUPAC name of 4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid (CID 143864063) is 4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid.
What is the SMILES notation for 4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid?
The canonical SMILES for 4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid is C=C[C@@](C)(F)c1ccccc1S(=O)(=O)C1CCCCC1CCCC(=O)O.
What is the InChIKey of 4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid?
The InChIKey is OYDASDMVFNEISN-MKJPBZQASA-N. The full InChI is InChI=1S/C20H27FO4S/c1-3-20(2,21)16-11-5-7-13-18(16)26(24,25)17-12-6-4-9-15(17)10-8-14-19(22)23/h3,5,7,11,13,15,17H,1,4,6,8-10,12,14H2,2H3,(H,22,23)/t15?,17?,20-/m1/s1.
What are the key properties of 4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid?
4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid has a molecular weight of 382.50 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(2R)-2-fluorobut-3-en-2-yl]phenyl]sulfonylcyclohexyl]butanoic acid is sourced from PubChem (CID 143864063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).