4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one

C20H14FNO4S — CID 10430033

IUPAC4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(O)(c2cc3cc(F)ccc3n2S(=O)(=O)c2ccccc2)C=C1
InChIInChI=1S/C20H14FNO4S/c21-15-6-7-18-14(12-15)13-19(20(24)10-8-16(23)9-11-20)22(18)27(25,26)17-4-2-1-3-5-17/h1-13,24H
InChIKeyKASRNHWIQQCDNO-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.90
Rot. Bonds3

About 4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one

4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one (PubChem CID 10430033) has the molecular formula C20H14FNO4S and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one
PubChem CID10430033
Molecular FormulaC20H14FNO4S
Molecular Weight383.40 g/mol
Exact Mass383.06
IUPAC Name4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(O)(c2cc3cc(F)ccc3n2S(=O)(=O)c2ccccc2)C=C1
InChIInChI=1S/C20H14FNO4S/c21-15-6-7-18-14(12-15)13-19(20(24)10-8-16(23)9-11-20)22(18)27(25,26)17-4-2-1-3-5-17/h1-13,24H
InChIKeyKASRNHWIQQCDNO-UHFFFAOYSA-N
XLogP2.90
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone
CID 9907134
4-Hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one
CID 10474852
2-(Carbazole-9-sulfonyl)-benzoic acid
CID 44393734
4-[1-(benzenesulfonyl)-6-fluoro-1H-indol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one
CID 9929913
4-[1-(4-Fluoro-benzenesulfonyl)-1H-indol-2-yl]-4-hydroxy-cyclohexa-2,5-dienone
CID 9977243
4-Hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one
CID 10028584
4-Hydroxy-4-[1-(4-methoxyphenyl)sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one
CID 10250087
4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxy4H-naphthalen-1-one
CID 10251274
4-Hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one
CID 10341787
4-hydroxy 4-[1-(toluene-4-sulfonyl)-1H-indol-2-yl]-4H-naphthalen-1-one
CID 10387927
4-(1-Benzenesulfonyl-5-methoxy-1H-indol-2-yl)-4-hydroxy-cyclohexa-2,5-dienone
CID 10430793
4-[1-[5-(Dimethylamino)naphthalen-1-yl]sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one
CID 11753908

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one (CID 10430033) is 4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one is O=C1C=CC(O)(c2cc3cc(F)ccc3n2S(=O)(=O)c2ccccc2)C=C1.
What is the InChIKey of 4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one?
The InChIKey is KASRNHWIQQCDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO4S/c21-15-6-7-18-14(12-15)13-19(20(24)10-8-16(23)9-11-20)22(18)27(25,26)17-4-2-1-3-5-17/h1-13,24H.
What are the key properties of 4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one?
4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one has a molecular weight of 383.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one is sourced from PubChem (CID 10430033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).