N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide

C17H14BrF2N3O5S — CID 137497780

IUPACN-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(F)c(C(=O)N2CC(=O)N(O)C2c2cccc(Br)c2)c1F
InChIInChI=1S/C17H14BrF2N3O5S/c1-29(27,28)21-12-6-5-11(19)14(15(12)20)17(25)22-8-13(24)23(26)16(22)9-3-2-4-10(18)7-9/h2-7,16,21,26H,8H2,1H3
InChIKeyOAFGAWYHCTXFDC-UHFFFAOYSA-N
MW490.28 g/mol
LogP2.47
Rot. Bonds4

About N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide

N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide (PubChem CID 137497780) has the molecular formula C17H14BrF2N3O5S and a molecular weight of 490.28 g/mol. Its IUPAC name is N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide
PubChem CID137497780
Molecular FormulaC17H14BrF2N3O5S
Molecular Weight490.28 g/mol
Exact Mass488.98
IUPAC NameN-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(F)c(C(=O)N2CC(=O)N(O)C2c2cccc(Br)c2)c1F
InChIInChI=1S/C17H14BrF2N3O5S/c1-29(27,28)21-12-6-5-11(19)14(15(12)20)17(25)22-8-13(24)23(26)16(22)9-3-2-4-10(18)7-9/h2-7,16,21,26H,8H2,1H3
InChIKeyOAFGAWYHCTXFDC-UHFFFAOYSA-N
XLogP2.47
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide
CID 137497796
2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405721
2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405765
2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405700
1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one
CID 130405719
2,6-difluoro-3-(methanesulfonamido)benzamide
CID 169218137
3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile
CID 130405812
2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one
CID 130405726
2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one
CID 130405761
1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 130405851
2-(3-bromophenyl)-1-(3-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde
CID 174931361
2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde
CID 174932152

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide (CID 137497780) is N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(F)c(C(=O)N2CC(=O)N(O)C2c2cccc(Br)c2)c1F.
What is the InChIKey of N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide?
The InChIKey is OAFGAWYHCTXFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF2N3O5S/c1-29(27,28)21-12-6-5-11(19)14(15(12)20)17(25)22-8-13(24)23(26)16(22)9-3-2-4-10(18)7-9/h2-7,16,21,26H,8H2,1H3.
What are the key properties of N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide?
N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide has a molecular weight of 490.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide is sourced from PubChem (CID 137497780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).