4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid

C10H11FO6S — CID 171877991

IUPAC4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C10H11FO6S/c11-18(16,17)7-3-1-6(2-4-7)10(15)8(12)5-9(13)14/h1-4,8,10,12,15H,5H2,(H,13,14)
InChIKeyMYRMOSZLRSHBBI-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.21
Rot. Bonds5

About 4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid

4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid (PubChem CID 171877991) has the molecular formula C10H11FO6S and a molecular weight of 278.26 g/mol. Its IUPAC name is 4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid
PubChem CID171877991
Molecular FormulaC10H11FO6S
Molecular Weight278.26 g/mol
Exact Mass278.03
IUPAC Name4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C10H11FO6S/c11-18(16,17)7-3-1-6(2-4-7)10(15)8(12)5-9(13)14/h1-4,8,10,12,15H,5H2,(H,13,14)
InChIKeyMYRMOSZLRSHBBI-UHFFFAOYSA-N
XLogP0.21
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromo-1,2-dihydroxypropyl)benzenesulfonyl fluoride
CID 171860298
4-(4-acetamido-1,2-dihydroxybutyl)benzenesulfonyl fluoride
CID 171883365
3,4-dihydroxy-4-[4-(methylamino)phenyl]butanoic acid
CID 171877416
3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butanoic acid
CID 171877617
4-(4-azido-1,2-dihydroxybutyl)benzenesulfonyl fluoride
CID 171879781
benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856238
4-[4-(2-aminoacetyl)phenyl]-3,4-dihydroxybutanoic acid
CID 171878164
4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877281
(3R,4S)-3-amino-4-hydroxy-4-(4-methylsulfonylphenyl)butanoic acid
CID 171777382
4-[4-(cyclopropanecarbonyl)phenyl]-3,4-dihydroxybutanoic acid
CID 171878414
4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid
CID 171877191
4-[4-(carbamothioylamino)phenyl]-3,4-dihydroxybutanoic acid
CID 171878043

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid (CID 171877991) is 4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid is O=C(O)CC(O)C(O)c1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid?
The InChIKey is MYRMOSZLRSHBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO6S/c11-18(16,17)7-3-1-6(2-4-7)10(15)8(12)5-9(13)14/h1-4,8,10,12,15H,5H2,(H,13,14).
What are the key properties of 4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid?
4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid has a molecular weight of 278.26 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171877991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).