2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid

C12H15NO6S — CID 43080124

IUPAC2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid
SMILESCC(=O)c1cccc(S(=O)(=O)NC(C(=O)O)C(C)O)c1
InChIInChI=1S/C12H15NO6S/c1-7(14)9-4-3-5-10(6-9)20(18,19)13-11(8(2)15)12(16)17/h3-6,8,11,13,15H,1-2H3,(H,16,17)
InChIKeyVHEVUGSIZWCEFT-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.00
Rot. Bonds6

About 2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid

2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid (PubChem CID 43080124) has the molecular formula C12H15NO6S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid
PubChem CID43080124
Molecular FormulaC12H15NO6S
Molecular Weight301.32 g/mol
Exact Mass301.06
IUPAC Name2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid
SMILESCC(=O)c1cccc(S(=O)(=O)NC(C(=O)O)C(C)O)c1
InChIInChI=1S/C12H15NO6S/c1-7(14)9-4-3-5-10(6-9)20(18,19)13-11(8(2)15)12(16)17/h3-6,8,11,13,15H,1-2H3,(H,16,17)
InChIKeyVHEVUGSIZWCEFT-UHFFFAOYSA-N
XLogP0.00
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(3-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29276801
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
(2S,3R)-2-[(3-bromophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 28828771
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
3-[(1-carboxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 3476550
(2R)-2-[(3-acetylphenyl)sulfonylamino]-4-amino-4-oxobutanoic acid
CID 28538089
2-[(3-acetylphenyl)sulfonylamino]hexanoic acid
CID 43386720
3-acetyl-N-hexan-2-ylbenzenesulfonamide
CID 62200637
3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169549
3-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501743
3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 62732947
3-acetyl-N-hexan-3-ylbenzenesulfonamide
CID 55031108

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid (CID 43080124) is 2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid is CC(=O)c1cccc(S(=O)(=O)NC(C(=O)O)C(C)O)c1.
What is the InChIKey of 2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid?
The InChIKey is VHEVUGSIZWCEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6S/c1-7(14)9-4-3-5-10(6-9)20(18,19)13-11(8(2)15)12(16)17/h3-6,8,11,13,15H,1-2H3,(H,16,17).
What are the key properties of 2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid?
2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid has a molecular weight of 301.32 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 43080124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).