1-(benzenesulfonyl)-4-bromo-6-fluoroindole

C14H9BrFNO2S — CID 68716114

IUPAC1-(benzenesulfonyl)-4-bromo-6-fluoroindole
SMILESO=S(=O)(c1ccccc1)n1ccc2c(Br)cc(F)cc21
InChIInChI=1S/C14H9BrFNO2S/c15-13-8-10(16)9-14-12(13)6-7-17(14)20(18,19)11-4-2-1-3-5-11/h1-9H
InChIKeyCZEXVNDQUSHRPL-UHFFFAOYSA-N
MW354.20 g/mol
LogP3.78
Rot. Bonds2

About 1-(benzenesulfonyl)-4-bromo-6-fluoroindole

1-(benzenesulfonyl)-4-bromo-6-fluoroindole (PubChem CID 68716114) has the molecular formula C14H9BrFNO2S and a molecular weight of 354.20 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-bromo-6-fluoroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-bromo-6-fluoroindole
PubChem CID68716114
Molecular FormulaC14H9BrFNO2S
Molecular Weight354.20 g/mol
Exact Mass352.95
IUPAC Name1-(benzenesulfonyl)-4-bromo-6-fluoroindole
SMILESO=S(=O)(c1ccccc1)n1ccc2c(Br)cc(F)cc21
InChIInChI=1S/C14H9BrFNO2S/c15-13-8-10(16)9-14-12(13)6-7-17(14)20(18,19)11-4-2-1-3-5-11/h1-9H
InChIKeyCZEXVNDQUSHRPL-UHFFFAOYSA-N
XLogP3.78
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-bromo-6-fluoroindole?
The IUPAC name of 1-(benzenesulfonyl)-4-bromo-6-fluoroindole (CID 68716114) is 1-(benzenesulfonyl)-4-bromo-6-fluoroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-bromo-6-fluoroindole?
The canonical SMILES for 1-(benzenesulfonyl)-4-bromo-6-fluoroindole is O=S(=O)(c1ccccc1)n1ccc2c(Br)cc(F)cc21.
What is the InChIKey of 1-(benzenesulfonyl)-4-bromo-6-fluoroindole?
The InChIKey is CZEXVNDQUSHRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO2S/c15-13-8-10(16)9-14-12(13)6-7-17(14)20(18,19)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 1-(benzenesulfonyl)-4-bromo-6-fluoroindole?
1-(benzenesulfonyl)-4-bromo-6-fluoroindole has a molecular weight of 354.20 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-bromo-6-fluoroindole is sourced from PubChem (CID 68716114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).