1-(3-bromo-4-methylphenyl)sulfonylindole

C15H12BrNO2S — CID 66766050

IUPAC1-(3-bromo-4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3ccccc32)cc1Br
InChIInChI=1S/C15H12BrNO2S/c1-11-6-7-13(10-14(11)16)20(18,19)17-9-8-12-4-2-3-5-15(12)17/h2-10H,1H3
InChIKeyHACJYQBWWJXGAN-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.95
Rot. Bonds2

About 1-(3-bromo-4-methylphenyl)sulfonylindole

1-(3-bromo-4-methylphenyl)sulfonylindole (PubChem CID 66766050) has the molecular formula C15H12BrNO2S and a molecular weight of 350.24 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)sulfonylindole
PubChem CID66766050
Molecular FormulaC15H12BrNO2S
Molecular Weight350.24 g/mol
Exact Mass348.98
IUPAC Name1-(3-bromo-4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3ccccc32)cc1Br
InChIInChI=1S/C15H12BrNO2S/c1-11-6-7-13(10-14(11)16)20(18,19)17-9-8-12-4-2-3-5-15(12)17/h2-10H,1H3
InChIKeyHACJYQBWWJXGAN-UHFFFAOYSA-N
XLogP3.95
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)sulfonylindole
CID 53400635
1-(4-chlorophenyl)sulfonylindole
CID 4689237
3-indol-1-ylsulfonylphenol
CID 59272903
2-fluoro-5-indol-1-ylsulfonylaniline
CID 71494011
1-[4-bromo-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonylindole;dihydrochloride
CID 45111007
ethane;1-(3-methoxyphenyl)sulfonylindole
CID 157094822
1-(benzenesulfonyl)indole;4-methylbenzene-1,3-dicarboxylic acid
CID 174496817
5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
CID 177408616
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
6-bromo-1-(2-methylphenyl)sulfonylindole
CID 66766049
1-(benzenesulfonyl)-3-bromo-2-methylpyrrole
CID 123539756
5-iodo-1-(4-methylphenyl)sulfonylindole
CID 10872988

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)sulfonylindole?
The IUPAC name of 1-(3-bromo-4-methylphenyl)sulfonylindole (CID 66766050) is 1-(3-bromo-4-methylphenyl)sulfonylindole.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)sulfonylindole?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2ccc3ccccc32)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)sulfonylindole?
The InChIKey is HACJYQBWWJXGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S/c1-11-6-7-13(10-14(11)16)20(18,19)17-9-8-12-4-2-3-5-15(12)17/h2-10H,1H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)sulfonylindole?
1-(3-bromo-4-methylphenyl)sulfonylindole has a molecular weight of 350.24 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)sulfonylindole is sourced from PubChem (CID 66766050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).