7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran

C15H11BrO3S — CID 66893202

IUPAC7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran
SMILESCc1ccc(S(=O)(=O)c2cc(Br)c3occc3c2)cc1
InChIInChI=1S/C15H11BrO3S/c1-10-2-4-12(5-3-10)20(17,18)13-8-11-6-7-19-15(11)14(16)9-13/h2-9H,1H3
InChIKeyQBWWNGRXYFFTEW-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.34
Rot. Bonds2

About 7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran

7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran (PubChem CID 66893202) has the molecular formula C15H11BrO3S and a molecular weight of 351.22 g/mol. Its IUPAC name is 7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran.

Molecular Properties

Compound Name7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran
PubChem CID66893202
Molecular FormulaC15H11BrO3S
Molecular Weight351.22 g/mol
Exact Mass349.96
IUPAC Name7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran
SMILESCc1ccc(S(=O)(=O)c2cc(Br)c3occc3c2)cc1
InChIInChI=1S/C15H11BrO3S/c1-10-2-4-12(5-3-10)20(17,18)13-8-11-6-7-19-15(11)14(16)9-13/h2-9H,1H3
InChIKeyQBWWNGRXYFFTEW-UHFFFAOYSA-N
XLogP4.34
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran
CID 66893003
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene
CID 11324042

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran?
The IUPAC name of 7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran (CID 66893202) is 7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran.
What is the SMILES notation for 7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran?
The canonical SMILES for 7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran is Cc1ccc(S(=O)(=O)c2cc(Br)c3occc3c2)cc1.
What is the InChIKey of 7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran?
The InChIKey is QBWWNGRXYFFTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO3S/c1-10-2-4-12(5-3-10)20(17,18)13-8-11-6-7-19-15(11)14(16)9-13/h2-9H,1H3.
What are the key properties of 7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran?
7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran has a molecular weight of 351.22 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran is sourced from PubChem (CID 66893202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).