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

C13H20N2O5S — CID 87749588

IUPAC3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]butanamide
SMILESCCCc1ccc(S(=O)(=O)N(O)C(C(N)=O)C(C)O)cc1
InChIInChI=1S/C13H20N2O5S/c1-3-4-10-5-7-11(8-6-10)21(19,20)15(18)12(9(2)16)13(14)17/h5-9,12,16,18H,3-4H2,1-2H3,(H2,14,17)
InChIKeyVSUIHGJYZKPRIB-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.25
Rot. Bonds7

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

3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]butanamide (PubChem CID 87749588) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]butanamide
PubChem CID87749588
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]butanamide
SMILESCCCc1ccc(S(=O)(=O)N(O)C(C(N)=O)C(C)O)cc1
InChIInChI=1S/C13H20N2O5S/c1-3-4-10-5-7-11(8-6-10)21(19,20)15(18)12(9(2)16)13(14)17/h5-9,12,16,18H,3-4H2,1-2H3,(H2,14,17)
InChIKeyVSUIHGJYZKPRIB-UHFFFAOYSA-N
XLogP0.25
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.25
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-propylphenyl)sulfonylamino]butanamide?
The IUPAC name of 3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]butanamide (CID 87749588) is 3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for 3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]butanamide?
The canonical SMILES for 3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]butanamide is CCCc1ccc(S(=O)(=O)N(O)C(C(N)=O)C(C)O)cc1.
What is the InChIKey of 3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]butanamide?
The InChIKey is VSUIHGJYZKPRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-3-4-10-5-7-11(8-6-10)21(19,20)15(18)12(9(2)16)13(14)17/h5-9,12,16,18H,3-4H2,1-2H3,(H2,14,17).
What are the key properties of 3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]butanamide?
3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]butanamide has a molecular weight of 316.38 g/mol, XLogP of 0.25, 7 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-propylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 87749588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).