4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid

C19H18N4O7S — CID 55924141

IUPAC4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid
SMILESO=C(CCN1C(=O)CNC1=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C19H18N4O7S/c24-16(9-10-23-17(25)11-20-19(23)28)21-13-3-5-14(6-4-13)22-31(29,30)15-7-1-12(2-8-15)18(26)27/h1-8,22H,9-11H2,(H,20,28)(H,21,24)(H,26,27)
InChIKeyIZODAQXYYWOXQY-UHFFFAOYSA-N
MW446.44 g/mol
LogP1.07
Rot. Bonds8

About 4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid

4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid (PubChem CID 55924141) has the molecular formula C19H18N4O7S and a molecular weight of 446.44 g/mol. Its IUPAC name is 4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid
PubChem CID55924141
Molecular FormulaC19H18N4O7S
Molecular Weight446.44 g/mol
Exact Mass446.09
IUPAC Name4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid
SMILESO=C(CCN1C(=O)CNC1=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C19H18N4O7S/c24-16(9-10-23-17(25)11-20-19(23)28)21-13-3-5-14(6-4-13)22-31(29,30)15-7-1-12(2-8-15)18(26)27/h1-8,22H,9-11H2,(H,20,28)(H,21,24)(H,26,27)
InChIKeyIZODAQXYYWOXQY-UHFFFAOYSA-N
XLogP1.07
TPSA161.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(3-methylbutanoylamino)phenyl]sulfamoyl]benzoic acid
CID 55542289
4-[4-[[4-(3-carboxypropanoylamino)phenyl]sulfonylamino]anilino]-4-oxobutanoic acid
CID 7364162
N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 35543016
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
4-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]benzoic acid
CID 22781476
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474869
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide
CID 4571611
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide
CID 55963287
4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1010683
1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide
CID 55963786
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 92676154
4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfamoyl]benzoic acid
CID 108782929

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid (CID 55924141) is 4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid is O=C(CCN1C(=O)CNC1=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid?
The InChIKey is IZODAQXYYWOXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O7S/c24-16(9-10-23-17(25)11-20-19(23)28)21-13-3-5-14(6-4-13)22-31(29,30)15-7-1-12(2-8-15)18(26)27/h1-8,22H,9-11H2,(H,20,28)(H,21,24)(H,26,27).
What are the key properties of 4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid?
4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid has a molecular weight of 446.44 g/mol, XLogP of 1.07, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 55924141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).