(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate

C12H15N2O6S- — CID 2325636

IUPAC(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1
InChIInChI=1S/C12H16N2O6S/c1-7(15)11(12(17)18)14-21(19,20)10-5-3-9(4-6-10)13-8(2)16/h3-7,11,14-15H,1-2H3,(H,13,16)(H,17,18)/p-1/t7-,11-/m1/s1
InChIKeyZHGRWRHFXFHHCV-RDDDGLTNSA-M
MW315.33 g/mol
LogP-1.58
Rot. Bonds6

About (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate

(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate (PubChem CID 2325636) has the molecular formula C12H15N2O6S- and a molecular weight of 315.33 g/mol. Its IUPAC name is (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate.

Molecular Properties

Compound Name(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate
PubChem CID2325636
Molecular FormulaC12H15N2O6S-
Molecular Weight315.33 g/mol
Exact Mass315.07
IUPAC Name(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1
InChIInChI=1S/C12H16N2O6S/c1-7(15)11(12(17)18)14-21(19,20)10-5-3-9(4-6-10)13-8(2)16/h3-7,11,14-15H,1-2H3,(H,13,16)(H,17,18)/p-1/t7-,11-/m1/s1
InChIKeyZHGRWRHFXFHHCV-RDDDGLTNSA-M
XLogP-1.58
TPSA135.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoate
CID 7314858
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate
CID 7448572
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550
(2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 2104038
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate
CID 6942072
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 7448579
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
CID 2179183
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate?
The IUPAC name of (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate (CID 2325636) is (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate.
What is the SMILES notation for (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate?
The canonical SMILES for (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1.
What is the InChIKey of (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate?
The InChIKey is ZHGRWRHFXFHHCV-RDDDGLTNSA-M. The full InChI is InChI=1S/C12H16N2O6S/c1-7(15)11(12(17)18)14-21(19,20)10-5-3-9(4-6-10)13-8(2)16/h3-7,11,14-15H,1-2H3,(H,13,16)(H,17,18)/p-1/t7-,11-/m1/s1.
What are the key properties of (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate?
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate has a molecular weight of 315.33 g/mol, XLogP of -1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate is sourced from PubChem (CID 2325636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).