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

C18H15F2N3O5S — CID 155514135

IUPAC4-[(4R)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
SMILESC[C@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H15F2N3O5S/c1-18(10-2-5-12(6-3-10)29(21,27)28)16(25)23(17(26)22-18)9-15(24)13-7-4-11(19)8-14(13)20/h2-8H,9H2,1H3,(H,22,26)(H2,21,27,28)/t18-/m1/s1
InChIKeyGMGAMGXAXJWAQR-GOSISDBHSA-N
MW423.40 g/mol
LogP1.26
Rot. Bonds5

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

4-[(4R)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide (PubChem CID 155514135) has the molecular formula C18H15F2N3O5S and a molecular weight of 423.40 g/mol. Its IUPAC name is 4-[(4R)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4R)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
PubChem CID155514135
Molecular FormulaC18H15F2N3O5S
Molecular Weight423.40 g/mol
Exact Mass423.07
IUPAC Name4-[(4R)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
SMILESC[C@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H15F2N3O5S/c1-18(10-2-5-12(6-3-10)29(21,27)28)16(25)23(17(26)22-18)9-15(24)13-7-4-11(19)8-14(13)20/h2-8H,9H2,1H3,(H,22,26)(H2,21,27,28)/t18-/m1/s1
InChIKeyGMGAMGXAXJWAQR-GOSISDBHSA-N
XLogP1.26
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-[(4R)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide (CID 155514135) is 4-[(4R)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(4R)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[(4R)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide is C[C@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of 4-[(4R)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The InChIKey is GMGAMGXAXJWAQR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15F2N3O5S/c1-18(10-2-5-12(6-3-10)29(21,27)28)16(25)23(17(26)22-18)9-15(24)13-7-4-11(19)8-14(13)20/h2-8H,9H2,1H3,(H,22,26)(H2,21,27,28)/t18-/m1/s1.
What are the key properties of 4-[(4R)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
4-[(4R)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide has a molecular weight of 423.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 155514135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).