1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one

C10H11BrN2O3S — CID 61215707

IUPAC1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CCNC1=O
InChIInChI=1S/C10H11BrN2O3S/c1-7-2-3-8(11)6-9(7)17(15,16)13-5-4-12-10(13)14/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKeySGWICUSXUVYZDF-UHFFFAOYSA-N
MW319.18 g/mol
LogP1.47
Rot. Bonds2

About 1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one

1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one (PubChem CID 61215707) has the molecular formula C10H11BrN2O3S and a molecular weight of 319.18 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one
PubChem CID61215707
Molecular FormulaC10H11BrN2O3S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC Name1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CCNC1=O
InChIInChI=1S/C10H11BrN2O3S/c1-7-2-3-8(11)6-9(7)17(15,16)13-5-4-12-10(13)14/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKeySGWICUSXUVYZDF-UHFFFAOYSA-N
XLogP1.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromophenyl)sulfonylimidazolidin-2-one
CID 61216229
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1-(5-bromo-2-methylphenyl)sulfonylazepane
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(3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine
CID 94340271
1-(4-bromo-2-methylphenyl)sulfonyl-1,4-diazepan-5-one
CID 131963610
2-[4-(5-bromo-2-methylphenyl)sulfonylpiperazin-2-yl]ethanol
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(4aS,7aS)-6-(5-bromo-2-methylphenyl)sulfonyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681242
4-(5-bromo-2-methylphenyl)sulfonyl-2-ethylthiomorpholine
CID 115650834
1-(5-bromo-2-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
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CID 113418445

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one?
The IUPAC name of 1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one (CID 61215707) is 1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one is Cc1ccc(Br)cc1S(=O)(=O)N1CCNC1=O.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one?
The InChIKey is SGWICUSXUVYZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3S/c1-7-2-3-8(11)6-9(7)17(15,16)13-5-4-12-10(13)14/h2-3,6H,4-5H2,1H3,(H,12,14).
What are the key properties of 1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one?
1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one has a molecular weight of 319.18 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one is sourced from PubChem (CID 61215707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).