1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one

C16H15BrN2O5S2 — CID 44602022

IUPAC1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Br)C2=O)cc1
InChIInChI=1S/C16H15BrN2O5S2/c1-12-6-8-13(9-7-12)25(21,22)18-10-11-19(16(18)20)26(23,24)15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3
InChIKeyJKEDRNRFZKNPIC-UHFFFAOYSA-N
MW459.34 g/mol
LogP2.57
Rot. Bonds4

About 1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one

1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one (PubChem CID 44602022) has the molecular formula C16H15BrN2O5S2 and a molecular weight of 459.34 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one
PubChem CID44602022
Molecular FormulaC16H15BrN2O5S2
Molecular Weight459.34 g/mol
Exact Mass457.96
IUPAC Name1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Br)C2=O)cc1
InChIInChI=1S/C16H15BrN2O5S2/c1-12-6-8-13(9-7-12)25(21,22)18-10-11-19(16(18)20)26(23,24)15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3
InChIKeyJKEDRNRFZKNPIC-UHFFFAOYSA-N
XLogP2.57
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7,10,20,23-tetrakis-(4-methylphenyl)sulfonyl-7,10,20,23-tetrazapentacyclo[22.2.2.23,6.211,14.216,19]tetratriaconta-1(26),3(34),4,6(33),11(32),12,14(31),16,18,24,27,29-dodecaene
CID 177484771
4-(2-bromophenyl)sulfonylpiperazine-1-carbaldehyde
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1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine
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1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
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2-(4-methylphenyl)sulfonyl-3,4-dihydroisoquinolin-1-one
CID 11472135
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 15418830
4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide
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2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 21453212
1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 2468104
1-(4-methylphenyl)sulfonyl-3-(5-methyl-1,3-thiazol-2-yl)imidazolidin-2-one
CID 11099798
3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 10956008

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one (CID 44602022) is 1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Br)C2=O)cc1.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one?
The InChIKey is JKEDRNRFZKNPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O5S2/c1-12-6-8-13(9-7-12)25(21,22)18-10-11-19(16(18)20)26(23,24)15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3.
What are the key properties of 1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one?
1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one has a molecular weight of 459.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one is sourced from PubChem (CID 44602022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).