1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole

C15H14ClNO2S — CID 2231421

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCc2ccccc21
InChIInChI=1S/C15H14ClNO2S/c16-14-7-5-12(6-8-14)11-20(18,19)17-10-9-13-3-1-2-4-15(13)17/h1-8H,9-11H2
InChIKeyAJFLZGDLCKLYBT-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.23
Rot. Bonds3

About 1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole

1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole (PubChem CID 2231421) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole
PubChem CID2231421
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCc2ccccc21
InChIInChI=1S/C15H14ClNO2S/c16-14-7-5-12(6-8-14)11-20(18,19)17-10-9-13-3-1-2-4-15(13)17/h1-8H,9-11H2
InChIKeyAJFLZGDLCKLYBT-UHFFFAOYSA-N
XLogP3.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole (CID 2231421) is 1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole is O=S(=O)(Cc1ccc(Cl)cc1)N1CCc2ccccc21.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole?
The InChIKey is AJFLZGDLCKLYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-14-7-5-12(6-8-14)11-20(18,19)17-10-9-13-3-1-2-4-15(13)17/h1-8H,9-11H2.
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole?
1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole has a molecular weight of 307.80 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-2,3-dihydroindole is sourced from PubChem (CID 2231421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).