4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide

C15H13N3O4S — CID 3041018

IUPAC4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C15H13N3O4S/c16-23(21,22)13-8-6-11(7-9-13)17-10-14(19)18(15(17)20)12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,21,22)
InChIKeyGHXAXPXIOUWBNR-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.31
Rot. Bonds3

About 4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide

4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide (PubChem CID 3041018) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide
PubChem CID3041018
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C15H13N3O4S/c16-23(21,22)13-8-6-11(7-9-13)17-10-14(19)18(15(17)20)12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,21,22)
InChIKeyGHXAXPXIOUWBNR-UHFFFAOYSA-N
XLogP1.31
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 138393379
4-[3-(2,4-Difluorophenyl)-2-oxoimidazolidin-1-yl]benzenesulfonamide
CID 124174639
Benzenesulfonamide, 4-(2-oxo-1-pyrrolidinyl)-
CID 215697
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2388085
2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide
CID 145949437
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 4543616
3-(4-Chloro-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 9798519
1-(4-Chlorophenyl)-3-(4-chlorophenyl)sulfonylimidazolidine-2,4-dione
CID 9821476
3-(4-Bromo-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10524714
3-(2,5-Dioxo-3-phenyl-imidazolidine-1-sulfonyl)-benzonitrile
CID 10593313
3-(4-Fluoro-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10616695
3-(4-Nitro-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10689926

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of 4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide (CID 3041018) is 4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2CC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is GHXAXPXIOUWBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c16-23(21,22)13-8-6-11(7-9-13)17-10-14(19)18(15(17)20)12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,21,22).
What are the key properties of 4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide?
4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 331.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-3-phenylimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 3041018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).