(2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid

C11H15NO7S2 — CID 104934935

IUPAC(2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)O)cc1
InChIInChI=1S/C11H15NO7S2/c1-20(16,17)8-2-4-9(5-3-8)21(18,19)12-10(6-7-13)11(14)15/h2-5,10,12-13H,6-7H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyTXUDOLOGSOMZQW-JTQLQIEISA-N
MW337.38 g/mol
LogP-0.80
Rot. Bonds7

About (2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid

(2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid (PubChem CID 104934935) has the molecular formula C11H15NO7S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid
PubChem CID104934935
Molecular FormulaC11H15NO7S2
Molecular Weight337.38 g/mol
Exact Mass337.03
IUPAC Name(2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)O)cc1
InChIInChI=1S/C11H15NO7S2/c1-20(16,17)8-2-4-9(5-3-8)21(18,19)12-10(6-7-13)11(14)15/h2-5,10,12-13H,6-7H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyTXUDOLOGSOMZQW-JTQLQIEISA-N
XLogP-0.80
TPSA137.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic 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-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933793
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244774
(2R)-4-hydroxy-2-[(4-methylsulfonylbenzoyl)amino]butanoic acid
CID 107822947
2-[(3,5-dimethylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244974
2-[(3,4-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244059
(2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933822
(2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)carbamoylamino]butanoic acid
CID 107825809
(2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 107824095
(2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933823
4-hydroxy-2-[(4-methyl-3-nitrophenyl)sulfonylamino]butanoic acid
CID 61244982
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid (CID 104934935) is (2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid is CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)O)cc1.
What is the InChIKey of (2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid?
The InChIKey is TXUDOLOGSOMZQW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO7S2/c1-20(16,17)8-2-4-9(5-3-8)21(18,19)12-10(6-7-13)11(14)15/h2-5,10,12-13H,6-7H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid?
(2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid has a molecular weight of 337.38 g/mol, XLogP of -0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 104934935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).