1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole

C15H11F3N2O4S — CID 133300024

IUPAC1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole
SMILESO=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCc2ccc(F)cc21
InChIInChI=1S/C15H11F3N2O4S/c16-10-2-1-9-5-6-19(13(9)7-10)12-4-3-11(8-14(12)20(21)22)25(23,24)15(17)18/h1-4,7-8,15H,5-6H2
InChIKeyQDKDLDGWYSEUOX-UHFFFAOYSA-N
MW372.32 g/mol
LogP3.42
Rot. Bonds4

About 1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole

1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole (PubChem CID 133300024) has the molecular formula C15H11F3N2O4S and a molecular weight of 372.32 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole
PubChem CID133300024
Molecular FormulaC15H11F3N2O4S
Molecular Weight372.32 g/mol
Exact Mass372.04
IUPAC Name1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole
SMILESO=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCc2ccc(F)cc21
InChIInChI=1S/C15H11F3N2O4S/c16-10-2-1-9-5-6-19(13(9)7-10)12-4-3-11(8-14(12)20(21)22)25(23,24)15(17)18/h1-4,7-8,15H,5-6H2
InChIKeyQDKDLDGWYSEUOX-UHFFFAOYSA-N
XLogP3.42
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 53.42
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

4-(2,3-dihydroindol-1-yl)-N,N-diethyl-3-nitrobenzenesulfonamide
CID 4877058
N,N-diethyl-4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzenesulfonamide
CID 133422525
5,7-difluoro-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-3,4-dihydro-2H-quinoline
CID 156859285
5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103495541
4-(2,3-dihydroindol-1-yl)-3-nitroaniline
CID 82299179
1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-4-(4-methoxyphenyl)-1,4-diazepane
CID 133298013
N-[2-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 133298184
8-chloro-2-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 133297605
2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide
CID 103494011
1-(cyclopentylmethyl)-4-[4-(difluoromethylsulfonyl)-2-nitrophenyl]piperazin-2-one
CID 133390818
2-(4-fluoro-2-nitrophenyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 133273591
1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-2-(3-methylphenyl)pyrrolidine
CID 133298219

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole?
The IUPAC name of 1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole (CID 133300024) is 1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole is O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCc2ccc(F)cc21.
What is the InChIKey of 1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole?
The InChIKey is QDKDLDGWYSEUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4S/c16-10-2-1-9-5-6-19(13(9)7-10)12-4-3-11(8-14(12)20(21)22)25(23,24)15(17)18/h1-4,7-8,15H,5-6H2.
What are the key properties of 1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole?
1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole has a molecular weight of 372.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole is sourced from PubChem (CID 133300024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).