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

C14H12BrNO2S — CID 789097

IUPAC1-(4-bromophenyl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCc2ccccc21
InChIInChI=1S/C14H12BrNO2S/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
InChIKeyWQXHNJBSBDGRAZ-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.20
Rot. Bonds2

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

1-(4-bromophenyl)sulfonyl-2,3-dihydroindole (PubChem CID 789097) has the molecular formula C14H12BrNO2S and a molecular weight of 338.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-2,3-dihydroindole
PubChem CID789097
Molecular FormulaC14H12BrNO2S
Molecular Weight338.23 g/mol
Exact Mass336.98
IUPAC Name1-(4-bromophenyl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCc2ccccc21
InChIInChI=1S/C14H12BrNO2S/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
InChIKeyWQXHNJBSBDGRAZ-UHFFFAOYSA-N
XLogP3.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-2,3-dihydroindole (CID 789097) is 1-(4-bromophenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-2,3-dihydroindole is O=S(=O)(c1ccc(Br)cc1)N1CCc2ccccc21.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is WQXHNJBSBDGRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2S/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-bromophenyl)sulfonyl-2,3-dihydroindole?
1-(4-bromophenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 338.23 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 789097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).