3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole

C15H9F3N2O4S — CID 118648116

IUPAC3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole
SMILESO=[N+]([O-])c1cccc2c1c(C(F)F)cn2S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H9F3N2O4S/c16-10-4-1-2-7-13(10)25(23,24)19-8-9(15(17)18)14-11(19)5-3-6-12(14)20(21)22/h1-8,15H
InChIKeyHAFQQDSJBBJOBA-UHFFFAOYSA-N
MW370.31 g/mol
LogP3.86
Rot. Bonds4

About 3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole

3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole (PubChem CID 118648116) has the molecular formula C15H9F3N2O4S and a molecular weight of 370.31 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole
PubChem CID118648116
Molecular FormulaC15H9F3N2O4S
Molecular Weight370.31 g/mol
Exact Mass370.02
IUPAC Name3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole
SMILESO=[N+]([O-])c1cccc2c1c(C(F)F)cn2S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H9F3N2O4S/c16-10-4-1-2-7-13(10)25(23,24)19-8-9(15(17)18)14-11(19)5-3-6-12(14)20(21)22/h1-8,15H
InChIKeyHAFQQDSJBBJOBA-UHFFFAOYSA-N
XLogP3.86
TPSA82.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3-chlorophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-4-nitroindole
CID 174792393
1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole
CID 158620437
1-(difluoromethyl)-2-fluoro-3-nitrobenzene
CID 46311780
N-[(1R)-1-[3-bromo-1-(4-methylphenyl)sulfonylindol-4-yl]-3-hydroxy-3-methylbutyl]-2-nitrobenzenesulfonamide
CID 25111393
1-nitro-2-(2-nitrophenyl)sulfonylsulfonylbenzene
CID 54533031
(2-nitrophenyl)sulfonylazanide;uranium
CID 169307604
1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane
CID 144993589
1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole
CID 71493856
2-[1-[1-(2-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 85088396
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide
CID 2578365
iron(2+);bis(2-nitrobenzenesulfonate)
CID 141179187

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole?
The IUPAC name of 3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole (CID 118648116) is 3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole.
What is the SMILES notation for 3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole?
The canonical SMILES for 3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole is O=[N+]([O-])c1cccc2c1c(C(F)F)cn2S(=O)(=O)c1ccccc1F.
What is the InChIKey of 3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole?
The InChIKey is HAFQQDSJBBJOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O4S/c16-10-4-1-2-7-13(10)25(23,24)19-8-9(15(17)18)14-11(19)5-3-6-12(14)20(21)22/h1-8,15H.
What are the key properties of 3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole?
3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole has a molecular weight of 370.31 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole is sourced from PubChem (CID 118648116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).