3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole

C23H18BrNO2S — CID 139187424

IUPAC3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole
SMILESC=Cc1c(-c2ccc(Br)cc2)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H18BrNO2S/c1-3-21-23(17-10-12-18(24)13-11-17)20-6-4-5-7-22(20)25(21)28(26,27)19-14-8-16(2)9-15-19/h3-15H,1H2,2H3
InChIKeyULMKEMNVSZFJKA-UHFFFAOYSA-N
MW452.37 g/mol
LogP6.26
Rot. Bonds4

About 3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole

3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole (PubChem CID 139187424) has the molecular formula C23H18BrNO2S and a molecular weight of 452.37 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole
PubChem CID139187424
Molecular FormulaC23H18BrNO2S
Molecular Weight452.37 g/mol
Exact Mass451.02
IUPAC Name3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole
SMILESC=Cc1c(-c2ccc(Br)cc2)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H18BrNO2S/c1-3-21-23(17-10-12-18(24)13-11-17)20-6-4-5-7-22(20)25(21)28(26,27)19-14-8-16(2)9-15-19/h3-15H,1H2,2H3
InChIKeyULMKEMNVSZFJKA-UHFFFAOYSA-N
XLogP6.26
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.37
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-2-ethenyl-3-methylindole
CID 53243035
5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde
CID 54751837
[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane
CID 175023681
5-bromo-4-deuterio-1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-3-phenylindole
CID 175784611
2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 132600980
3,8-dibromo-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
CID 139048804
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole
CID 24874540
2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one
CID 138982150
3-(difluoromethylsulfanyl)-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 175597794
2-(diethoxymethyl)-3-methyl-1-(4-methylphenyl)sulfonylindole
CID 10620251

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole (CID 139187424) is 3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole is C=Cc1c(-c2ccc(Br)cc2)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole?
The InChIKey is ULMKEMNVSZFJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrNO2S/c1-3-21-23(17-10-12-18(24)13-11-17)20-6-4-5-7-22(20)25(21)28(26,27)19-14-8-16(2)9-15-19/h3-15H,1H2,2H3.
What are the key properties of 3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole?
3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole has a molecular weight of 452.37 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 139187424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).