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

C16H13F2N3O4S — CID 47026821

IUPAC2,4-difluoro-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzenesulfonamide
SMILESCC1(c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)NC(=O)NC1=O
InChIInChI=1S/C16H13F2N3O4S/c1-16(14(22)19-15(23)20-16)9-2-5-11(6-3-9)21-26(24,25)13-7-4-10(17)8-12(13)18/h2-8,21H,1H3,(H2,19,20,22,23)
InChIKeyCXZHQPWCOPRAKQ-UHFFFAOYSA-N
MW381.36 g/mol
LogP1.82
Rot. Bonds4

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

2,4-difluoro-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzenesulfonamide (PubChem CID 47026821) has the molecular formula C16H13F2N3O4S and a molecular weight of 381.36 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzenesulfonamide
PubChem CID47026821
Molecular FormulaC16H13F2N3O4S
Molecular Weight381.36 g/mol
Exact Mass381.06
IUPAC Name2,4-difluoro-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzenesulfonamide
SMILESCC1(c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)NC(=O)NC1=O
InChIInChI=1S/C16H13F2N3O4S/c1-16(14(22)19-15(23)20-16)9-2-5-11(6-3-9)21-26(24,25)13-7-4-10(17)8-12(13)18/h2-8,21H,1H3,(H2,19,20,22,23)
InChIKeyCXZHQPWCOPRAKQ-UHFFFAOYSA-N
XLogP1.82
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2,4-difluorobenzenesulfonamide
CID 40957361
N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 65030660
2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796931
N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
CID 3377300
2,4-difluoro-N-[4-(4-methylphenoxy)phenyl]benzenesulfonamide
CID 2494967
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544
N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide
CID 91968201
N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 114296387
4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061759
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
CID 43551083
2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 3671490

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzenesulfonamide (CID 47026821) is 2,4-difluoro-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzenesulfonamide is CC1(c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)NC(=O)NC1=O.
What is the InChIKey of 2,4-difluoro-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzenesulfonamide?
The InChIKey is CXZHQPWCOPRAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O4S/c1-16(14(22)19-15(23)20-16)9-2-5-11(6-3-9)21-26(24,25)13-7-4-10(17)8-12(13)18/h2-8,21H,1H3,(H2,19,20,22,23).
What are the key properties of 2,4-difluoro-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzenesulfonamide?
2,4-difluoro-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzenesulfonamide has a molecular weight of 381.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 47026821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).