N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide

C16H15N3O4S — CID 35543016

IUPACN-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide
SMILESO=C1CNC(=O)N1Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15N3O4S/c20-15-10-17-16(21)19(15)11-12-6-8-13(9-7-12)18-24(22,23)14-4-2-1-3-5-14/h1-9,18H,10-11H2,(H,17,21)
InChIKeyAMDPJNNJXINMHW-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.54
Rot. Bonds5

About N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide

N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 35543016) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide
PubChem CID35543016
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide
SMILESO=C1CNC(=O)N1Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15N3O4S/c20-15-10-17-16(21)19(15)11-12-6-8-13(9-7-12)18-24(22,23)14-4-2-1-3-5-14/h1-9,18H,10-11H2,(H,17,21)
InChIKeyAMDPJNNJXINMHW-UHFFFAOYSA-N
XLogP1.54
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 38894275
4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid
CID 55924141
N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]benzenesulfonamide
CID 46943286
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 35543957
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 108781141
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091
benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 17454076
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide
CID 112982611
N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
CID 16644480
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide
CID 75396064
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-methylbenzenesulfonamide
CID 71579439

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide (CID 35543016) is N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide is O=C1CNC(=O)N1Cc1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is AMDPJNNJXINMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c20-15-10-17-16(21)19(15)11-12-6-8-13(9-7-12)18-24(22,23)14-4-2-1-3-5-14/h1-9,18H,10-11H2,(H,17,21).
What are the key properties of N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide?
N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 345.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 35543016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).