1-(benzenesulfonyl)-3,7-dimethylindole

C16H15NO2S — CID 123930016

IUPAC1-(benzenesulfonyl)-3,7-dimethylindole
SMILESCc1cn(S(=O)(=O)c2ccccc2)c2c(C)cccc12
InChIInChI=1S/C16H15NO2S/c1-12-7-6-10-15-13(2)11-17(16(12)15)20(18,19)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyDLBFYCMJLSUFQL-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.50
Rot. Bonds2

About 1-(benzenesulfonyl)-3,7-dimethylindole

1-(benzenesulfonyl)-3,7-dimethylindole (PubChem CID 123930016) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3,7-dimethylindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3,7-dimethylindole
PubChem CID123930016
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name1-(benzenesulfonyl)-3,7-dimethylindole
SMILESCc1cn(S(=O)(=O)c2ccccc2)c2c(C)cccc12
InChIInChI=1S/C16H15NO2S/c1-12-7-6-10-15-13(2)11-17(16(12)15)20(18,19)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyDLBFYCMJLSUFQL-UHFFFAOYSA-N
XLogP3.50
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-7-methyl-1-(4-methylphenyl)sulfonylindole
CID 118449865
1-(benzenesulfonyl)-7-propan-2-ylindole-3-carboxylic acid
CID 59596750
1-(4-methoxyphenyl)sulfonyl-3-methylindole
CID 66853930
9-(benzenesulfonyl)-4-methylcarbazole
CID 14594808
1-(benzenesulfonyl)-7-methoxyindole-3-sulfonic acid
CID 90935850
7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde
CID 71764561
[1-(benzenesulfonyl)indol-3-yl]-trimethylsilane
CID 12908469
1-(benzenesulfonyl)indol-3-amine
CID 142808384
1-(benzenesulfonyl)-3-benzylindole
CID 86142945
4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one
CID 102516278
3-methylindole-1-sulfonic acid
CID 66799949
7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole
CID 173164693

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3,7-dimethylindole?
The IUPAC name of 1-(benzenesulfonyl)-3,7-dimethylindole (CID 123930016) is 1-(benzenesulfonyl)-3,7-dimethylindole.
What is the SMILES notation for 1-(benzenesulfonyl)-3,7-dimethylindole?
The canonical SMILES for 1-(benzenesulfonyl)-3,7-dimethylindole is Cc1cn(S(=O)(=O)c2ccccc2)c2c(C)cccc12.
What is the InChIKey of 1-(benzenesulfonyl)-3,7-dimethylindole?
The InChIKey is DLBFYCMJLSUFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-12-7-6-10-15-13(2)11-17(16(12)15)20(18,19)14-8-4-3-5-9-14/h3-11H,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-3,7-dimethylindole?
1-(benzenesulfonyl)-3,7-dimethylindole has a molecular weight of 285.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3,7-dimethylindole is sourced from PubChem (CID 123930016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).