3-(benzenesulfonamido)-2-phenoxypropanoic acid

C15H15NO5S — CID 21178348

IUPAC3-(benzenesulfonamido)-2-phenoxypropanoic acid
SMILESO=C(O)C(CNS(=O)(=O)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H15NO5S/c17-15(18)14(21-12-7-3-1-4-8-12)11-16-22(19,20)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,17,18)
InChIKeyMQYMXXNGXLGKMD-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.50
Rot. Bonds7

About 3-(benzenesulfonamido)-2-phenoxypropanoic acid

3-(benzenesulfonamido)-2-phenoxypropanoic acid (PubChem CID 21178348) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-2-phenoxypropanoic acid.

Molecular Properties

Compound Name3-(benzenesulfonamido)-2-phenoxypropanoic acid
PubChem CID21178348
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name3-(benzenesulfonamido)-2-phenoxypropanoic acid
SMILESO=C(O)C(CNS(=O)(=O)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H15NO5S/c17-15(18)14(21-12-7-3-1-4-8-12)11-16-22(19,20)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,17,18)
InChIKeyMQYMXXNGXLGKMD-UHFFFAOYSA-N
XLogP1.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonamido)-2-phenoxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzenesulfonamido)ethylsulfinyl 2-phenoxybutanoate
CID 67586390
methyl 3-(benzenesulfonamido)-2-hydroxypropanoate
CID 103878768
3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936683
3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 26800768
2-(4-fluorophenoxy)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonylamino)propanoic acid
CID 167928831
3-[(4-tert-butylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936753
N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide
CID 2947116
2-methoxy-3-[(4-propoxyphenyl)sulfonylamino]propanoic acid
CID 104936715
(2S)-4-(benzenesulfonamido)-2-bromobutanoic acid
CID 131850599
4-[3-(benzenesulfonamido)-1-phenoxypropyl]benzoic acid
CID 90733848
N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide
CID 5067707
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-2-phenoxypropanoic acid?
The IUPAC name of 3-(benzenesulfonamido)-2-phenoxypropanoic acid (CID 21178348) is 3-(benzenesulfonamido)-2-phenoxypropanoic acid.
What is the SMILES notation for 3-(benzenesulfonamido)-2-phenoxypropanoic acid?
The canonical SMILES for 3-(benzenesulfonamido)-2-phenoxypropanoic acid is O=C(O)C(CNS(=O)(=O)c1ccccc1)Oc1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-2-phenoxypropanoic acid?
The InChIKey is MQYMXXNGXLGKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c17-15(18)14(21-12-7-3-1-4-8-12)11-16-22(19,20)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,17,18).
What are the key properties of 3-(benzenesulfonamido)-2-phenoxypropanoic acid?
3-(benzenesulfonamido)-2-phenoxypropanoic acid has a molecular weight of 321.35 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-2-phenoxypropanoic acid is sourced from PubChem (CID 21178348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).