3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid

C17H18N2O5S — CID 17341594

IUPAC3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCC(=O)O)cc2)cc1
InChIInChI=1S/C17H18N2O5S/c1-12(20)18-14-7-9-16(10-8-14)25(23,24)19-15-5-2-13(3-6-15)4-11-17(21)22/h2-3,5-10,19H,4,11H2,1H3,(H,18,20)(H,21,22)
InChIKeyJUAALRWYRJVGMK-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.46
Rot. Bonds7

About 3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid

3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid (PubChem CID 17341594) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid
PubChem CID17341594
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCC(=O)O)cc2)cc1
InChIInChI=1S/C17H18N2O5S/c1-12(20)18-14-7-9-16(10-8-14)25(23,24)19-15-5-2-13(3-6-15)4-11-17(21)22/h2-3,5-10,19H,4,11H2,1H3,(H,18,20)(H,21,22)
InChIKeyJUAALRWYRJVGMK-UHFFFAOYSA-N
XLogP2.46
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(4-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8860708
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid
CID 24580865
3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid
CID 9234830
N-[4-(3-oxobutyl)phenyl]benzenesulfonamide
CID 67020204
3-[4-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 119252165
4-[4-[[4-(3-carboxypropanoylamino)phenyl]sulfonylamino]anilino]-4-oxobutanoic acid
CID 7364162
3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid
CID 9234966
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8003799
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid (CID 17341594) is 3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCC(=O)O)cc2)cc1.
What is the InChIKey of 3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid?
The InChIKey is JUAALRWYRJVGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-12(20)18-14-7-9-16(10-8-14)25(23,24)19-15-5-2-13(3-6-15)4-11-17(21)22/h2-3,5-10,19H,4,11H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid?
3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid has a molecular weight of 362.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid is sourced from PubChem (CID 17341594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).