3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole

C17H16BrNO2S — CID 13349625

IUPAC3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole
SMILESCc1cc(C)c(S(=O)(=O)n2cc(Br)c3ccccc32)c(C)c1
InChIInChI=1S/C17H16BrNO2S/c1-11-8-12(2)17(13(3)9-11)22(20,21)19-10-15(18)14-6-4-5-7-16(14)19/h4-10H,1-3H3
InChIKeyCFKVPUXQDYQNML-UHFFFAOYSA-N
MW378.29 g/mol
LogP4.57
Rot. Bonds2

About 3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole

3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole (PubChem CID 13349625) has the molecular formula C17H16BrNO2S and a molecular weight of 378.29 g/mol. Its IUPAC name is 3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole.

Molecular Properties

Compound Name3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole
PubChem CID13349625
Molecular FormulaC17H16BrNO2S
Molecular Weight378.29 g/mol
Exact Mass377.01
IUPAC Name3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole
SMILESCc1cc(C)c(S(=O)(=O)n2cc(Br)c3ccccc32)c(C)c1
InChIInChI=1S/C17H16BrNO2S/c1-11-8-12(2)17(13(3)9-11)22(20,21)19-10-15(18)14-6-4-5-7-16(14)19/h4-10H,1-3H3
InChIKeyCFKVPUXQDYQNML-UHFFFAOYSA-N
XLogP4.57
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2-azaniumyl-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]butanoate
CID 40558801
3-bromo-1-[3-(trifluoromethyl)phenyl]sulfonylindole
CID 141006407
1-[4-(3-bromoindol-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 54220929
[2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane
CID 132568411
1-[4-bromo-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonyl-3-methylindole
CID 45111164
2-bromo-1-[6-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]ethanone
CID 121473320
1-(4-methoxyphenyl)sulfonyl-3-methylindole
CID 66853930
1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)indole
CID 101221610
1-(4-bromophenyl)sulfonylindole-3-carbaldehyde
CID 87179756
N-[3-bromo-4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]-2,4,6-trimethylbenzenesulfonamide
CID 5241230
diphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane
CID 11003128
3-methylindole-1-sulfonic acid
CID 66799949

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole?
The IUPAC name of 3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole (CID 13349625) is 3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole.
What is the SMILES notation for 3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole?
The canonical SMILES for 3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole is Cc1cc(C)c(S(=O)(=O)n2cc(Br)c3ccccc32)c(C)c1.
What is the InChIKey of 3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole?
The InChIKey is CFKVPUXQDYQNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2S/c1-11-8-12(2)17(13(3)9-11)22(20,21)19-10-15(18)14-6-4-5-7-16(14)19/h4-10H,1-3H3.
What are the key properties of 3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole?
3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole has a molecular weight of 378.29 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole is sourced from PubChem (CID 13349625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).