N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide

C16H14N4O6S — CID 55735673

IUPACN-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide
SMILESCC1(c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)NC(=O)NC1=O
InChIInChI=1S/C16H14N4O6S/c1-16(14(21)17-15(22)18-16)10-3-2-4-11(9-10)19-27(25,26)13-7-5-12(6-8-13)20(23)24/h2-9,19H,1H3,(H2,17,18,21,22)
InChIKeyJRENRKXEUZHYSA-UHFFFAOYSA-N
MW390.38 g/mol
LogP1.45
Rot. Bonds5

About N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide

N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide (PubChem CID 55735673) has the molecular formula C16H14N4O6S and a molecular weight of 390.38 g/mol. Its IUPAC name is N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide
PubChem CID55735673
Molecular FormulaC16H14N4O6S
Molecular Weight390.38 g/mol
Exact Mass390.06
IUPAC NameN-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide
SMILESCC1(c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)NC(=O)NC1=O
InChIInChI=1S/C16H14N4O6S/c1-16(14(21)17-15(22)18-16)10-3-2-4-11(9-10)19-27(25,26)13-7-5-12(6-8-13)20(23)24/h2-9,19H,1H3,(H2,17,18,21,22)
InChIKeyJRENRKXEUZHYSA-UHFFFAOYSA-N
XLogP1.45
TPSA147.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 55735768
N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide
CID 51951646
4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide
CID 51949356
3-[(4-nitrophenyl)sulfonylamino]benzoic acid
CID 7938678
N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide
CID 24629243
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 55722650
N-(2,6-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2219506
4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 58896227
N-(3-diaminophosphoryloxyphenyl)-4-nitrobenzenesulfonamide
CID 23341646
N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540750
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide (CID 55735673) is N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide is CC1(c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)NC(=O)NC1=O.
What is the InChIKey of N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide?
The InChIKey is JRENRKXEUZHYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6S/c1-16(14(21)17-15(22)18-16)10-3-2-4-11(9-10)19-27(25,26)13-7-5-12(6-8-13)20(23)24/h2-9,19H,1H3,(H2,17,18,21,22).
What are the key properties of N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide?
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide has a molecular weight of 390.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 55735673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).