3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide

C11H16N2O5S — CID 87748051

IUPAC3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N(O)C(C(N)=O)C(C)O)cc1
InChIInChI=1S/C11H16N2O5S/c1-7-3-5-9(6-4-7)19(17,18)13(16)10(8(2)14)11(12)15/h3-6,8,10,14,16H,1-2H3,(H2,12,15)
InChIKeyDBZJXWUHKYUXGF-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.39
Rot. Bonds5

About 3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide

3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide (PubChem CID 87748051) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide
PubChem CID87748051
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N(O)C(C(N)=O)C(C)O)cc1
InChIInChI=1S/C11H16N2O5S/c1-7-3-5-9(6-4-7)19(17,18)13(16)10(8(2)14)11(12)15/h3-6,8,10,14,16H,1-2H3,(H2,12,15)
InChIKeyDBZJXWUHKYUXGF-UHFFFAOYSA-N
XLogP-0.39
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of 3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide (CID 87748051) is 3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for 3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for 3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide is Cc1ccc(S(=O)(=O)N(O)C(C(N)=O)C(C)O)cc1.
What is the InChIKey of 3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide?
The InChIKey is DBZJXWUHKYUXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-7-3-5-9(6-4-7)19(17,18)13(16)10(8(2)14)11(12)15/h3-6,8,10,14,16H,1-2H3,(H2,12,15).
What are the key properties of 3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide?
3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide has a molecular weight of 288.32 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 87748051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).