1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one

C23H17F2NO3S — CID 123717539

IUPAC1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one
SMILESCC(=O)Cc1ccc2c(c1)cc(-c1c(F)cccc1F)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H17F2NO3S/c1-15(27)12-16-10-11-21-17(13-16)14-22(23-19(24)8-5-9-20(23)25)26(21)30(28,29)18-6-3-2-4-7-18/h2-11,13-14H,12H2,1H3
InChIKeyKRTOCRNJPQXVGH-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.95
Rot. Bonds5

About 1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one

1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one (PubChem CID 123717539) has the molecular formula C23H17F2NO3S and a molecular weight of 425.46 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one
PubChem CID123717539
Molecular FormulaC23H17F2NO3S
Molecular Weight425.46 g/mol
Exact Mass425.09
IUPAC Name1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one
SMILESCC(=O)Cc1ccc2c(c1)cc(-c1c(F)cccc1F)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H17F2NO3S/c1-15(27)12-16-10-11-21-17(13-16)14-22(23-19(24)8-5-9-20(23)25)26(21)30(28,29)18-6-3-2-4-7-18/h2-11,13-14H,12H2,1H3
InChIKeyKRTOCRNJPQXVGH-UHFFFAOYSA-N
XLogP4.95
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-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

1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid
CID 146604840
1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole
CID 174370834
3-[1-(4-fluorophenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]-2-methylbenzoic acid
CID 151258479
1-(benzenesulfonyl)-2-(2-methylphenyl)indole
CID 173032867
3-[1-(benzenesulfonyl)-5-methylindol-2-yl]propanoic acid
CID 68677465
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone
CID 11134025
1-(benzenesulfonyl)-5-fluoro-2-methylindole;4-hydroxy-4-methylcyclohexa-2,5-dien-1-one
CID 142912337
ethyl 5-[[1-(benzenesulfonyl)-5-methylsulfanylindol-2-yl]-hydroxymethyl]furan-2-carboxylate
CID 22504440
9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole
CID 14594824
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone
CID 174625594
[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]methanone
CID 11513080

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one?
The IUPAC name of 1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one (CID 123717539) is 1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one.
What is the SMILES notation for 1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one?
The canonical SMILES for 1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one is CC(=O)Cc1ccc2c(c1)cc(-c1c(F)cccc1F)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one?
The InChIKey is KRTOCRNJPQXVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO3S/c1-15(27)12-16-10-11-21-17(13-16)14-22(23-19(24)8-5-9-20(23)25)26(21)30(28,29)18-6-3-2-4-7-18/h2-11,13-14H,12H2,1H3.
What are the key properties of 1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one?
1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one has a molecular weight of 425.46 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one is sourced from PubChem (CID 123717539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).