1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole

C17H17NO4S2 — CID 139760319

IUPAC1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole
SMILESCCc1cc2cc(S(C)(=O)=O)ccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17NO4S2/c1-3-14-11-13-12-16(23(2,19)20)9-10-17(13)18(14)24(21,22)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3
InChIKeyKHXAAWVTSRPCJA-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.84
Rot. Bonds4

About 1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole

1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole (PubChem CID 139760319) has the molecular formula C17H17NO4S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole
PubChem CID139760319
Molecular FormulaC17H17NO4S2
Molecular Weight363.46 g/mol
Exact Mass363.06
IUPAC Name1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole
SMILESCCc1cc2cc(S(C)(=O)=O)ccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17NO4S2/c1-3-14-11-13-12-16(23(2,19)20)9-10-17(13)18(14)24(21,22)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3
InChIKeyKHXAAWVTSRPCJA-UHFFFAOYSA-N
XLogP2.84
TPSA73.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole?
The IUPAC name of 1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole (CID 139760319) is 1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole?
The canonical SMILES for 1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole is CCc1cc2cc(S(C)(=O)=O)ccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole?
The InChIKey is KHXAAWVTSRPCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S2/c1-3-14-11-13-12-16(23(2,19)20)9-10-17(13)18(14)24(21,22)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole?
1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole has a molecular weight of 363.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole is sourced from PubChem (CID 139760319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).