2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid

C10H11ClFNO5S — CID 114517798

IUPAC2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
SMILESCC(O)C(NS(=O)(=O)c1cc(F)ccc1Cl)C(=O)O
InChIInChI=1S/C10H11ClFNO5S/c1-5(14)9(10(15)16)13-19(17,18)8-4-6(12)2-3-7(8)11/h2-5,9,13-14H,1H3,(H,15,16)
InChIKeyQVZCYSPDRQVMMY-UHFFFAOYSA-N
MW311.72 g/mol
LogP0.59
Rot. Bonds5

About 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid

2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid (PubChem CID 114517798) has the molecular formula C10H11ClFNO5S and a molecular weight of 311.72 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
PubChem CID114517798
Molecular FormulaC10H11ClFNO5S
Molecular Weight311.72 g/mol
Exact Mass311.00
IUPAC Name2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
SMILESCC(O)C(NS(=O)(=O)c1cc(F)ccc1Cl)C(=O)O
InChIInChI=1S/C10H11ClFNO5S/c1-5(14)9(10(15)16)13-19(17,18)8-4-6(12)2-3-7(8)11/h2-5,9,13-14H,1H3,(H,15,16)
InChIKeyQVZCYSPDRQVMMY-UHFFFAOYSA-N
XLogP0.59
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935327
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 105399638
(2S,3S)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 103862725
(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
CID 103862701
3-[[(1R,2S)-1-carboxy-2-hydroxypropyl]sulfamoyl]-4-chlorobenzoic acid
CID 7745996
(2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid
CID 166242064
2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide
CID 113381999
(2S,3R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 93302578
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
CID 104739176
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43084117
(2R)-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010727
(3R)-3-[(2-chloro-5-fluorophenyl)sulfonylamino]-4,4-dimethylpentanoic acid
CID 166259120

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid (CID 114517798) is 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid is CC(O)C(NS(=O)(=O)c1cc(F)ccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
The InChIKey is QVZCYSPDRQVMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO5S/c1-5(14)9(10(15)16)13-19(17,18)8-4-6(12)2-3-7(8)11/h2-5,9,13-14H,1H3,(H,15,16).
What are the key properties of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid has a molecular weight of 311.72 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 114517798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).