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

C24H19F2N3O5S — CID 155550370

IUPACN-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
SMILESCC1(c2ccc(NS(=O)(=O)c3ccccc3)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C24H19F2N3O5S/c1-24(15-7-10-17(11-8-15)28-35(33,34)18-5-3-2-4-6-18)22(31)29(23(32)27-24)14-21(30)19-12-9-16(25)13-20(19)26/h2-13,28H,14H2,1H3,(H,27,32)
InChIKeyPOLZCYZUTQTPRN-UHFFFAOYSA-N
MW499.50 g/mol
LogP3.42
Rot. Bonds7

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

N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide (PubChem CID 155550370) has the molecular formula C24H19F2N3O5S and a molecular weight of 499.50 g/mol. Its IUPAC name is N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
PubChem CID155550370
Molecular FormulaC24H19F2N3O5S
Molecular Weight499.50 g/mol
Exact Mass499.10
IUPAC NameN-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
SMILESCC1(c2ccc(NS(=O)(=O)c3ccccc3)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C24H19F2N3O5S/c1-24(15-7-10-17(11-8-15)28-35(33,34)18-5-3-2-4-6-18)22(31)29(23(32)27-24)14-21(30)19-12-9-16(25)13-20(19)26/h2-13,28H,14H2,1H3,(H,27,32)
InChIKeyPOLZCYZUTQTPRN-UHFFFAOYSA-N
XLogP3.42
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 155539548
5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 155529560
3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24622962
(5R)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 27141300
3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24520307
(5R)-5-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41100981
(5R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562039
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 42909139
(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7484126
N-(2,5-difluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250071
2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 93266434

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide (CID 155550370) is N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide is CC1(c2ccc(NS(=O)(=O)c3ccccc3)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide?
The InChIKey is POLZCYZUTQTPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O5S/c1-24(15-7-10-17(11-8-15)28-35(33,34)18-5-3-2-4-6-18)22(31)29(23(32)27-24)14-21(30)19-12-9-16(25)13-20(19)26/h2-13,28H,14H2,1H3,(H,27,32).
What are the key properties of N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide?
N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide has a molecular weight of 499.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 155550370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).