1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

C17H19NO3S — CID 4129908

IUPAC1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCCOc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C17H19NO3S/c1-3-21-15-8-10-16(11-9-15)22(19,20)18-13(2)12-14-6-4-5-7-17(14)18/h4-11,13H,3,12H2,1-2H3
InChIKeyUGWJKFXHNUAPCR-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.23
Rot. Bonds4

About 1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 4129908) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID4129908
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCCOc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C17H19NO3S/c1-3-21-15-8-10-16(11-9-15)22(19,20)18-13(2)12-14-6-4-5-7-17(14)18/h4-11,13H,3,12H2,1-2H3
InChIKeyUGWJKFXHNUAPCR-UHFFFAOYSA-N
XLogP3.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 4129908) is 1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is CCOc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is UGWJKFXHNUAPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-3-21-15-8-10-16(11-9-15)22(19,20)18-13(2)12-14-6-4-5-7-17(14)18/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 317.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 4129908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).