(2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid

C10H11F2NO5S — CID 104935044

IUPAC(2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)[C@H](CCO)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C10H11F2NO5S/c11-6-2-1-3-7(12)9(6)19(17,18)13-8(4-5-14)10(15)16/h1-3,8,13-14H,4-5H2,(H,15,16)/t8-/m0/s1
InChIKeyPZBMIQBNDLHBQL-QMMMGPOBSA-N
MW295.26 g/mol
LogP0.08
Rot. Bonds6

About (2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid

(2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 104935044) has the molecular formula C10H11F2NO5S and a molecular weight of 295.26 g/mol. Its IUPAC name is (2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID104935044
Molecular FormulaC10H11F2NO5S
Molecular Weight295.26 g/mol
Exact Mass295.03
IUPAC Name(2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)[C@H](CCO)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C10H11F2NO5S/c11-6-2-1-3-7(12)9(6)19(17,18)13-8(4-5-14)10(15)16/h1-3,8,13-14H,4-5H2,(H,15,16)/t8-/m0/s1
InChIKeyPZBMIQBNDLHBQL-QMMMGPOBSA-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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Related Compounds

(2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 78975684
(2S)-2-[(3-fluoro-2-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935102
(2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933822
4-hydroxy-2-[(2-methyl-6-nitrophenyl)sulfonylamino]butanoic acid
CID 61244233
(2R)-4-hydroxy-2-[(2-methyl-6-nitrophenyl)sulfonylamino]butanoic acid
CID 104933741
(2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
CID 104935094
4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
CID 61244228
(2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935022
2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 79027694
(2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 104934935
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 107824112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid (CID 104935044) is (2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid is O=C(O)[C@H](CCO)NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of (2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is PZBMIQBNDLHBQL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11F2NO5S/c11-6-2-1-3-7(12)9(6)19(17,18)13-8(4-5-14)10(15)16/h1-3,8,13-14H,4-5H2,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
(2S)-2-[(2,6-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 (2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 104935044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).