N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

C15H14IN3O3S — CID 56931425

IUPACN-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C15H14IN3O3S/c16-11-1-3-12(4-2-11)18-23(21,22)14-7-5-13(6-8-14)19-10-9-17-15(19)20/h1-8,18H,9-10H2,(H,17,20)
InChIKeyLVAJSWICQDDDIF-UHFFFAOYSA-N
MW443.27 g/mol
LogP2.62
Rot. Bonds4

About N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (PubChem CID 56931425) has the molecular formula C15H14IN3O3S and a molecular weight of 443.27 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
PubChem CID56931425
Molecular FormulaC15H14IN3O3S
Molecular Weight443.27 g/mol
Exact Mass442.98
IUPAC NameN-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C15H14IN3O3S/c16-11-1-3-12(4-2-11)18-23(21,22)14-7-5-13(6-8-14)19-10-9-17-15(19)20/h1-8,18H,9-10H2,(H,17,20)
InChIKeyLVAJSWICQDDDIF-UHFFFAOYSA-N
XLogP2.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (CID 56931425) is N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is O=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is LVAJSWICQDDDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O3S/c16-11-1-3-12(4-2-11)18-23(21,22)14-7-5-13(6-8-14)19-10-9-17-15(19)20/h1-8,18H,9-10H2,(H,17,20).
What are the key properties of N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 443.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 56931425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).