(2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid

C11H14FNO6S — CID 104933823

IUPAC(2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESCOc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc1F
InChIInChI=1S/C11H14FNO6S/c1-19-10-3-2-7(6-8(10)12)20(17,18)13-9(4-5-14)11(15)16/h2-3,6,9,13-14H,4-5H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyUZYYOTTVISZRLJ-SECBINFHSA-N
MW307.30 g/mol
LogP-0.05
Rot. Bonds7

About (2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid

(2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 104933823) has the molecular formula C11H14FNO6S and a molecular weight of 307.30 g/mol. Its IUPAC name is (2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID104933823
Molecular FormulaC11H14FNO6S
Molecular Weight307.30 g/mol
Exact Mass307.05
IUPAC Name(2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESCOc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc1F
InChIInChI=1S/C11H14FNO6S/c1-19-10-3-2-7(6-8(10)12)20(17,18)13-9(4-5-14)11(15)16/h2-3,6,9,13-14H,4-5H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyUZYYOTTVISZRLJ-SECBINFHSA-N
XLogP-0.05
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244059
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid
CID 43415053
(2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933822
(2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 42184451
(2S)-6-amino-2-[(3,4-dimethoxyphenyl)sulfonylamino]hexanoic acid
CID 69227886
2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid
CID 120606777
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244972
(2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933845
(2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 104934935
3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide
CID 103836369
5-[(1-carboxy-3-methylsulfanylpropyl)sulfamoyl]-2-methoxybenzoic acid
CID 102552943
(2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 107824095

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid (CID 104933823) is (2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid is COc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc1F.
What is the InChIKey of (2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is UZYYOTTVISZRLJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H14FNO6S/c1-19-10-3-2-7(6-8(10)12)20(17,18)13-9(4-5-14)11(15)16/h2-3,6,9,13-14H,4-5H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid?
(2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid has a molecular weight of 307.30 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 104933823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).