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

C15H12BrNO2S — CID 11954618

IUPAC5-bromo-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(Br)ccc32)cc1
InChIInChI=1S/C15H12BrNO2S/c1-11-2-5-14(6-3-11)20(18,19)17-9-8-12-10-13(16)4-7-15(12)17/h2-10H,1H3
InChIKeyCMQRWXUQAKCCAK-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.95
Rot. Bonds2

About 5-bromo-1-(4-methylphenyl)sulfonylindole

5-bromo-1-(4-methylphenyl)sulfonylindole (PubChem CID 11954618) has the molecular formula C15H12BrNO2S and a molecular weight of 350.24 g/mol. Its IUPAC name is 5-bromo-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name5-bromo-1-(4-methylphenyl)sulfonylindole
PubChem CID11954618
Molecular FormulaC15H12BrNO2S
Molecular Weight350.24 g/mol
Exact Mass348.98
IUPAC Name5-bromo-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(Br)ccc32)cc1
InChIInChI=1S/C15H12BrNO2S/c1-11-2-5-14(6-3-11)20(18,19)17-9-8-12-10-13(16)4-7-15(12)17/h2-10H,1H3
InChIKeyCMQRWXUQAKCCAK-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

5-iodo-1-(4-methylphenyl)sulfonylindole
CID 10872988
N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide
CID 175152929
5-(3,3-dimethylbut-1-ynyl)-1-(4-methylphenyl)sulfonylindole
CID 175964877
5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
CID 177408616
5-bromo-1-(4-methylphenyl)sulfonylindazole
CID 58137189
2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine
CID 138685100
3,8-dibromo-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
CID 139048804
5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole
CID 134963234
5-chloro-1-(4-methylphenyl)sulfonylindole;ethyl formate
CID 174618464
5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 156524125
1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol
CID 168637603
3-[1-(4-methylphenyl)sulfonylindol-5-yl]oxolan-2-one
CID 102495136

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylindole (CID 11954618) is 5-bromo-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 5-bromo-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 5-bromo-1-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2ccc3cc(Br)ccc32)cc1.
What is the InChIKey of 5-bromo-1-(4-methylphenyl)sulfonylindole?
The InChIKey is CMQRWXUQAKCCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S/c1-11-2-5-14(6-3-11)20(18,19)17-9-8-12-10-13(16)4-7-15(12)17/h2-10H,1H3.
What are the key properties of 5-bromo-1-(4-methylphenyl)sulfonylindole?
5-bromo-1-(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 5-bromo-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 11954618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).