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

C12H18N2O5S — CID 87749254

IUPAC3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]propanamide
SMILESCCCc1ccc(S(=O)(=O)N(O)C(CO)C(N)=O)cc1
InChIInChI=1S/C12H18N2O5S/c1-2-3-9-4-6-10(7-5-9)20(18,19)14(17)11(8-15)12(13)16/h4-7,11,15,17H,2-3,8H2,1H3,(H2,13,16)
InChIKeyNNECAOOZPGVEGN-UHFFFAOYSA-N
MW302.35 g/mol
LogP-0.13
Rot. Bonds7

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

3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]propanamide (PubChem CID 87749254) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]propanamide
PubChem CID87749254
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]propanamide
SMILESCCCc1ccc(S(=O)(=O)N(O)C(CO)C(N)=O)cc1
InChIInChI=1S/C12H18N2O5S/c1-2-3-9-4-6-10(7-5-9)20(18,19)14(17)11(8-15)12(13)16/h4-7,11,15,17H,2-3,8H2,1H3,(H2,13,16)
InChIKeyNNECAOOZPGVEGN-UHFFFAOYSA-N
XLogP-0.13
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 5-0.13
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]propanamide?
The IUPAC name of 3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]propanamide (CID 87749254) is 3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for 3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]propanamide?
The canonical SMILES for 3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]propanamide is CCCc1ccc(S(=O)(=O)N(O)C(CO)C(N)=O)cc1.
What is the InChIKey of 3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]propanamide?
The InChIKey is NNECAOOZPGVEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-2-3-9-4-6-10(7-5-9)20(18,19)14(17)11(8-15)12(13)16/h4-7,11,15,17H,2-3,8H2,1H3,(H2,13,16).
What are the key properties of 3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]propanamide?
3-hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]propanamide has a molecular weight of 302.35 g/mol, XLogP of -0.13, 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]propanamide is sourced from PubChem (CID 87749254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).