1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole

C14H12ClNO2S — CID 710426

IUPAC1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCc2ccccc21
InChIInChI=1S/C14H12ClNO2S/c15-12-5-7-13(8-6-12)19(17,18)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10H2
InChIKeyPJZOCOWIPWKJKD-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.09
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole

1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole (PubChem CID 710426) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole
PubChem CID710426
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC Name1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCc2ccccc21
InChIInChI=1S/C14H12ClNO2S/c15-12-5-7-13(8-6-12)19(17,18)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10H2
InChIKeyPJZOCOWIPWKJKD-UHFFFAOYSA-N
XLogP3.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole (CID 710426) is 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole is O=S(=O)(c1ccc(Cl)cc1)N1CCc2ccccc21.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is PJZOCOWIPWKJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c15-12-5-7-13(8-6-12)19(17,18)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole?
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 293.78 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 710426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).