1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole

C15H15NO4S2 — CID 6462869

IUPAC1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C15H15NO4S2/c1-21(17,18)13-6-4-7-14(11-13)22(19,20)16-10-9-12-5-2-3-8-15(12)16/h2-8,11H,9-10H2,1H3
InChIKeyJVTZUOGHCYBBRJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.84
Rot. Bonds3

About 1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole

1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 6462869) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID6462869
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Name1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C15H15NO4S2/c1-21(17,18)13-6-4-7-14(11-13)22(19,20)16-10-9-12-5-2-3-8-15(12)16/h2-8,11H,9-10H2,1H3
InChIKeyJVTZUOGHCYBBRJ-UHFFFAOYSA-N
XLogP1.84
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 43811959
1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole
CID 2952438
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 28796047
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
(4-methoxyphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 8881484
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole (CID 6462869) is 1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole is CS(=O)(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is JVTZUOGHCYBBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-21(17,18)13-6-4-7-14(11-13)22(19,20)16-10-9-12-5-2-3-8-15(12)16/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole?
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 337.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 6462869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).