4-[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide

C18H16FN3O5S — CID 155560820

IUPAC4-[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
SMILESCC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H16FN3O5S/c1-18(12-4-8-14(9-5-12)28(20,26)27)16(24)22(17(25)21-18)10-15(23)11-2-6-13(19)7-3-11/h2-9H,10H2,1H3,(H,21,25)(H2,20,26,27)
InChIKeyKZUOLHWGRQEWCS-UHFFFAOYSA-N
MW405.41 g/mol
LogP1.12
Rot. Bonds5

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

4-[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide (PubChem CID 155560820) has the molecular formula C18H16FN3O5S and a molecular weight of 405.41 g/mol. Its IUPAC name is 4-[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
PubChem CID155560820
Molecular FormulaC18H16FN3O5S
Molecular Weight405.41 g/mol
Exact Mass405.08
IUPAC Name4-[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
SMILESCC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H16FN3O5S/c1-18(12-4-8-14(9-5-12)28(20,26)27)16(24)22(17(25)21-18)10-15(23)11-2-6-13(19)7-3-11/h2-9H,10H2,1H3,(H,21,25)(H2,20,26,27)
InChIKeyKZUOLHWGRQEWCS-UHFFFAOYSA-N
XLogP1.12
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 51.12
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

3-[2-(4-Ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4790937
2-(1,3-dioxoisoindolin-2-yl)-N-(4-sulfamoylphenethyl)acetamide
CID 1147802
1-Benzoyl-2-isopropyl-3-[(4-methylphenyl)sulfonyl]imidazolidine
CID 3243698
3-[2-[4-(Benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 4968846
3-[2-(2,4-Difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16389350
3-[2-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 24687793
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25392418
1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide
CID 46948129
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 122185699
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 127033959
4-[4-Methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide
CID 155513385
4-[(4R)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
CID 155514135

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide (CID 155560820) is 4-[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide is CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O.
What is the InChIKey of 4-[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The InChIKey is KZUOLHWGRQEWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O5S/c1-18(12-4-8-14(9-5-12)28(20,26)27)16(24)22(17(25)21-18)10-15(23)11-2-6-13(19)7-3-11/h2-9H,10H2,1H3,(H,21,25)(H2,20,26,27).
What are the key properties of 4-[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
4-[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide has a molecular weight of 405.41 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 155560820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).