6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one

C16H11BrO4S — CID 154714736

IUPAC6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one
SMILESCc1ccc(S(=O)(=O)c2coc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C16H11BrO4S/c1-10-2-5-12(6-3-10)22(19,20)15-9-21-14-7-4-11(17)8-13(14)16(15)18/h2-9H,1H3
InChIKeyFWVSARPFBKQQDP-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.70
Rot. Bonds2

About 6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one

6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one (PubChem CID 154714736) has the molecular formula C16H11BrO4S and a molecular weight of 379.23 g/mol. Its IUPAC name is 6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one.

Molecular Properties

Compound Name6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one
PubChem CID154714736
Molecular FormulaC16H11BrO4S
Molecular Weight379.23 g/mol
Exact Mass377.96
IUPAC Name6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one
SMILESCc1ccc(S(=O)(=O)c2coc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C16H11BrO4S/c1-10-2-5-12(6-3-10)22(19,20)15-9-21-14-7-4-11(17)8-13(14)16(15)18/h2-9H,1H3
InChIKeyFWVSARPFBKQQDP-UHFFFAOYSA-N
XLogP3.70
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one
CID 154714737
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
3-(4-chlorophenyl)sulfonylchromen-4-one
CID 154714717
2-bromo-7-methylxanthen-9-one;ethane
CID 143958066
(NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide
CID 139223658
2,5-dibromo-3,6-bis-(4-methylphenyl)sulfonylcyclohexa-2,5-diene-1,4-dione
CID 23048682
6-bromo-4-oxochromene-3-carboxylic acid
CID 2756898
5-bromo-3-(1,1-difluoroethyl)-1-benzofuran
CID 84710327
(4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 10496906
2-(6-bromo-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 102452625
methyl 3-[(4Z)-6-bromo-4-[(4-methylphenyl)sulfonylhydrazinylidene]chromen-3-yl]propanoate
CID 122675043
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one?
The IUPAC name of 6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one (CID 154714736) is 6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one.
What is the SMILES notation for 6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one?
The canonical SMILES for 6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one is Cc1ccc(S(=O)(=O)c2coc3ccc(Br)cc3c2=O)cc1.
What is the InChIKey of 6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one?
The InChIKey is FWVSARPFBKQQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO4S/c1-10-2-5-12(6-3-10)22(19,20)15-9-21-14-7-4-11(17)8-13(14)16(15)18/h2-9H,1H3.
What are the key properties of 6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one?
6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one has a molecular weight of 379.23 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one is sourced from PubChem (CID 154714736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).