3-(2,4-difluorophenyl)sulfonylbutanoic acid

C10H10F2O4S — CID 43536511

IUPAC3-(2,4-difluorophenyl)sulfonylbutanoic acid
SMILESCC(CC(=O)O)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2O4S/c1-6(4-10(13)14)17(15,16)9-3-2-7(11)5-8(9)12/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyBHBBHHDKFUDPHC-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.60
Rot. Bonds4

About 3-(2,4-difluorophenyl)sulfonylbutanoic acid

3-(2,4-difluorophenyl)sulfonylbutanoic acid (PubChem CID 43536511) has the molecular formula C10H10F2O4S and a molecular weight of 264.25 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfonylbutanoic acid.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfonylbutanoic acid
PubChem CID43536511
Molecular FormulaC10H10F2O4S
Molecular Weight264.25 g/mol
Exact Mass264.03
IUPAC Name3-(2,4-difluorophenyl)sulfonylbutanoic acid
SMILESCC(CC(=O)O)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2O4S/c1-6(4-10(13)14)17(15,16)9-3-2-7(11)5-8(9)12/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyBHBBHHDKFUDPHC-UHFFFAOYSA-N
XLogP1.60
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfonylpropanoic acid
CID 43345424
3-(2-methoxyphenyl)sulfonylbutanoic acid
CID 61297993
3-[(2-bromo-4-fluorophenyl)methylsulfonyl]butanoic acid
CID 66115474
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 81066027
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
3-(2,4-difluoro-N-methylanilino)butanoic acid
CID 82115485
2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid
CID 60661324
3-(4-methylphenyl)sulfonylbutanoic acid
CID 15758469
3-amino-4-(2,4-difluoroanilino)butanoic acid
CID 115241465
methyl 3-(2-fluorophenyl)sulfonylbutanoate
CID 43536491
4-(2,5-difluorophenyl)-3-methylbutanoic acid
CID 58950420

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfonylbutanoic acid?
The IUPAC name of 3-(2,4-difluorophenyl)sulfonylbutanoic acid (CID 43536511) is 3-(2,4-difluorophenyl)sulfonylbutanoic acid.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfonylbutanoic acid?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfonylbutanoic acid is CC(CC(=O)O)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfonylbutanoic acid?
The InChIKey is BHBBHHDKFUDPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O4S/c1-6(4-10(13)14)17(15,16)9-3-2-7(11)5-8(9)12/h2-3,5-6H,4H2,1H3,(H,13,14).
What are the key properties of 3-(2,4-difluorophenyl)sulfonylbutanoic acid?
3-(2,4-difluorophenyl)sulfonylbutanoic acid has a molecular weight of 264.25 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfonylbutanoic acid is sourced from PubChem (CID 43536511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).