1-(4-ethylphenyl)sulfonyl-6-methylindole

C17H17NO2S — CID 46890741

IUPAC1-(4-ethylphenyl)sulfonyl-6-methylindole
SMILESCCc1ccc(S(=O)(=O)n2ccc3ccc(C)cc32)cc1
InChIInChI=1S/C17H17NO2S/c1-3-14-5-8-16(9-6-14)21(19,20)18-11-10-15-7-4-13(2)12-17(15)18/h4-12H,3H2,1-2H3
InChIKeyKTFSVOHOIHKSEM-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.75
Rot. Bonds3

About 1-(4-ethylphenyl)sulfonyl-6-methylindole

1-(4-ethylphenyl)sulfonyl-6-methylindole (PubChem CID 46890741) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonyl-6-methylindole.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonyl-6-methylindole
PubChem CID46890741
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name1-(4-ethylphenyl)sulfonyl-6-methylindole
SMILESCCc1ccc(S(=O)(=O)n2ccc3ccc(C)cc32)cc1
InChIInChI=1S/C17H17NO2S/c1-3-14-5-8-16(9-6-14)21(19,20)18-11-10-15-7-4-13(2)12-17(15)18/h4-12H,3H2,1-2H3
InChIKeyKTFSVOHOIHKSEM-UHFFFAOYSA-N
XLogP3.75
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
1-(Phenylsulfonyl)-1H-indole
CID 315017
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
Pyrrolidinylindole, 6
CID 10136837
1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
CID 10154392
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
Dansyltryptamine
CID 582771
pyrrolidinylindole, (R)-5b
CID 11351089
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonyl-6-methylindole?
The IUPAC name of 1-(4-ethylphenyl)sulfonyl-6-methylindole (CID 46890741) is 1-(4-ethylphenyl)sulfonyl-6-methylindole.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonyl-6-methylindole?
The canonical SMILES for 1-(4-ethylphenyl)sulfonyl-6-methylindole is CCc1ccc(S(=O)(=O)n2ccc3ccc(C)cc32)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonyl-6-methylindole?
The InChIKey is KTFSVOHOIHKSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-3-14-5-8-16(9-6-14)21(19,20)18-11-10-15-7-4-13(2)12-17(15)18/h4-12H,3H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)sulfonyl-6-methylindole?
1-(4-ethylphenyl)sulfonyl-6-methylindole has a molecular weight of 299.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonyl-6-methylindole is sourced from PubChem (CID 46890741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).