(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid

C12H17NO6S — CID 104935293

IUPAC(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1
InChIInChI=1S/C12H17NO6S/c1-3-19-9-4-6-10(7-5-9)20(17,18)13-11(8(2)14)12(15)16/h4-8,11,13-14H,3H2,1-2H3,(H,15,16)/t8-,11+/m1/s1
InChIKeyVDGDJUHKKOASIL-KCJUWKMLSA-N
MW303.34 g/mol
LogP0.20
Rot. Bonds7

About (2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid

(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid (PubChem CID 104935293) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is (2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid
PubChem CID104935293
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Name(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1
InChIInChI=1S/C12H17NO6S/c1-3-19-9-4-6-10(7-5-9)20(17,18)13-11(8(2)14)12(15)16/h4-8,11,13-14H,3H2,1-2H3,(H,15,16)/t8-,11+/m1/s1
InChIKeyVDGDJUHKKOASIL-KCJUWKMLSA-N
XLogP0.20
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-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

2-[(4-ethoxyphenyl)sulfonylamino]-5-methylhexanoic acid
CID 18801854
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 93252502
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 51233702
2-[(4-ethoxyphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62478985
2-[[(4-ethoxyphenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65220960
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
4-ethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2957183
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167333
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167334
(2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 2104038
(2S)-3-hydroxy-2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]propanoic acid
CID 61143433

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid (CID 104935293) is (2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid is CCOc1ccc(S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1.
What is the InChIKey of (2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid?
The InChIKey is VDGDJUHKKOASIL-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-3-19-9-4-6-10(7-5-9)20(17,18)13-11(8(2)14)12(15)16/h4-8,11,13-14H,3H2,1-2H3,(H,15,16)/t8-,11+/m1/s1.
What are the key properties of (2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid?
(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid has a molecular weight of 303.34 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 104935293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).