2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid

C10H11F2NO5S — CID 61245142

IUPAC2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO5S/c11-6-3-7(12)5-8(4-6)19(17,18)13-9(1-2-14)10(15)16/h3-5,9,13-14H,1-2H2,(H,15,16)
InChIKeyOHNLPPLRFCOLTH-UHFFFAOYSA-N
MW295.26 g/mol
LogP0.08
Rot. Bonds6

About 2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid

2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 61245142) has the molecular formula C10H11F2NO5S and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID61245142
Molecular FormulaC10H11F2NO5S
Molecular Weight295.26 g/mol
Exact Mass295.03
IUPAC Name2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO5S/c11-6-3-7(12)5-8(4-6)19(17,18)13-9(1-2-14)10(15)16/h3-5,9,13-14H,1-2H2,(H,15,16)
InChIKeyOHNLPPLRFCOLTH-UHFFFAOYSA-N
XLogP0.08
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid (CID 61245142) is 2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid is O=C(O)C(CCO)NS(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is OHNLPPLRFCOLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO5S/c11-6-3-7(12)5-8(4-6)19(17,18)13-9(1-2-14)10(15)16/h3-5,9,13-14H,1-2H2,(H,15,16).
What are the key properties of 2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid has a molecular weight of 295.26 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61245142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).