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

C11H14FNO5S — CID 104933822

IUPAC(2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESCc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc1F
InChIInChI=1S/C11H14FNO5S/c1-7-2-3-8(6-9(7)12)19(17,18)13-10(4-5-14)11(15)16/h2-3,6,10,13-14H,4-5H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyORVVBHLOXIKRBG-SNVBAGLBSA-N
MW291.30 g/mol
LogP0.25
Rot. Bonds6

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

(2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 104933822) has the molecular formula C11H14FNO5S and a molecular weight of 291.30 g/mol. Its IUPAC name is (2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID104933822
Molecular FormulaC11H14FNO5S
Molecular Weight291.30 g/mol
Exact Mass291.06
IUPAC Name(2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESCc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc1F
InChIInChI=1S/C11H14FNO5S/c1-7-2-3-8(6-9(7)12)19(17,18)13-10(4-5-14)11(15)16/h2-3,6,10,13-14H,4-5H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyORVVBHLOXIKRBG-SNVBAGLBSA-N
XLogP0.25
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933823
4-hydroxy-2-[(4-methyl-3-nitrophenyl)sulfonylamino]butanoic acid
CID 61244982
(2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933845
(2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 104934935
2-[(3,5-dimethylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244974
2-[(3,4-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244059
2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244229
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933793
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 28828984
(2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935044
(2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 107824095
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244774

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid (CID 104933822) is (2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid is Cc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc1F.
What is the InChIKey of (2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is ORVVBHLOXIKRBG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14FNO5S/c1-7-2-3-8(6-9(7)12)19(17,18)13-10(4-5-14)11(15)16/h2-3,6,10,13-14H,4-5H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid?
(2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid has a molecular weight of 291.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 104933822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).