1-(benzenesulfonyl)-5-(4-fluorophenyl)indole

C20H14FNO2S — CID 164547009

IUPAC1-(benzenesulfonyl)-5-(4-fluorophenyl)indole
SMILESO=S(=O)(c1ccccc1)n1ccc2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H14FNO2S/c21-18-9-6-15(7-10-18)16-8-11-20-17(14-16)12-13-22(20)25(23,24)19-4-2-1-3-5-19/h1-14H
InChIKeyNIOTVPQPVSSUSK-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.68
Rot. Bonds3

About 1-(benzenesulfonyl)-5-(4-fluorophenyl)indole

1-(benzenesulfonyl)-5-(4-fluorophenyl)indole (PubChem CID 164547009) has the molecular formula C20H14FNO2S and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(4-fluorophenyl)indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(4-fluorophenyl)indole
PubChem CID164547009
Molecular FormulaC20H14FNO2S
Molecular Weight351.40 g/mol
Exact Mass351.07
IUPAC Name1-(benzenesulfonyl)-5-(4-fluorophenyl)indole
SMILESO=S(=O)(c1ccccc1)n1ccc2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H14FNO2S/c21-18-9-6-15(7-10-18)16-8-11-20-17(14-16)12-13-22(20)25(23,24)19-4-2-1-3-5-19/h1-14H
InChIKeyNIOTVPQPVSSUSK-UHFFFAOYSA-N
XLogP4.68
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(4-fluorophenyl)indole?
The IUPAC name of 1-(benzenesulfonyl)-5-(4-fluorophenyl)indole (CID 164547009) is 1-(benzenesulfonyl)-5-(4-fluorophenyl)indole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(4-fluorophenyl)indole?
The canonical SMILES for 1-(benzenesulfonyl)-5-(4-fluorophenyl)indole is O=S(=O)(c1ccccc1)n1ccc2cc(-c3ccc(F)cc3)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-(4-fluorophenyl)indole?
The InChIKey is NIOTVPQPVSSUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2S/c21-18-9-6-15(7-10-18)16-8-11-20-17(14-16)12-13-22(20)25(23,24)19-4-2-1-3-5-19/h1-14H.
What are the key properties of 1-(benzenesulfonyl)-5-(4-fluorophenyl)indole?
1-(benzenesulfonyl)-5-(4-fluorophenyl)indole has a molecular weight of 351.40 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(4-fluorophenyl)indole is sourced from PubChem (CID 164547009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).