2,6-dimethyl-1-(4-methylphenyl)sulfonylindole

C17H17NO2S — CID 10709284

IUPAC2,6-dimethyl-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2c(C)cc3ccc(C)cc32)cc1
InChIInChI=1S/C17H17NO2S/c1-12-5-8-16(9-6-12)21(19,20)18-14(3)11-15-7-4-13(2)10-17(15)18/h4-11H,1-3H3
InChIKeyYSBRZZZPSPMLOT-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.80
Rot. Bonds2

About 2,6-dimethyl-1-(4-methylphenyl)sulfonylindole

2,6-dimethyl-1-(4-methylphenyl)sulfonylindole (PubChem CID 10709284) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2,6-dimethyl-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name2,6-dimethyl-1-(4-methylphenyl)sulfonylindole
PubChem CID10709284
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name2,6-dimethyl-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2c(C)cc3ccc(C)cc32)cc1
InChIInChI=1S/C17H17NO2S/c1-12-5-8-16(9-6-12)21(19,20)18-14(3)11-15-7-4-13(2)10-17(15)18/h4-11H,1-3H3
InChIKeyYSBRZZZPSPMLOT-UHFFFAOYSA-N
XLogP3.80
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 138983532
5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol
CID 90800425
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
1-(benzenesulfonyl)-2-methylindole-6-carbonitrile
CID 170985237
1-(4-methylphenyl)sulfonylquinolin-2-one
CID 11652332
2-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 19047864
1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one
CID 18559050
4-(bromomethyl)-2-methyl-1-(4-methylphenyl)sulfonylindole
CID 135323831
13,18-bis-(4-methylphenyl)sulfonyl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene
CID 177415197
2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 174939258
2,5-dimethyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylpyrrole
CID 139886765
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 2,6-dimethyl-1-(4-methylphenyl)sulfonylindole (CID 10709284) is 2,6-dimethyl-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 2,6-dimethyl-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 2,6-dimethyl-1-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2c(C)cc3ccc(C)cc32)cc1.
What is the InChIKey of 2,6-dimethyl-1-(4-methylphenyl)sulfonylindole?
The InChIKey is YSBRZZZPSPMLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-12-5-8-16(9-6-12)21(19,20)18-14(3)11-15-7-4-13(2)10-17(15)18/h4-11H,1-3H3.
What are the key properties of 2,6-dimethyl-1-(4-methylphenyl)sulfonylindole?
2,6-dimethyl-1-(4-methylphenyl)sulfonylindole has a molecular weight of 299.40 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 10709284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).