1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene

C14H14F3N3O3S2 — CID 167882327

IUPAC1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene
SMILESCS(C)(=O)=NS(=O)(=O)Nc1cc(F)ccc1Nc1ccc(F)cc1F
InChIInChI=1S/C14H14F3N3O3S2/c1-24(2,21)20-25(22,23)19-14-8-10(16)4-6-13(14)18-12-5-3-9(15)7-11(12)17/h3-8,18-19H,1-2H3
InChIKeyNMUOJOHJZXMZJZ-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.23
Rot. Bonds5

About 1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene

1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene (PubChem CID 167882327) has the molecular formula C14H14F3N3O3S2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene.

Molecular Properties

Compound Name1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene
PubChem CID167882327
Molecular FormulaC14H14F3N3O3S2
Molecular Weight393.41 g/mol
Exact Mass393.04
IUPAC Name1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene
SMILESCS(C)(=O)=NS(=O)(=O)Nc1cc(F)ccc1Nc1ccc(F)cc1F
InChIInChI=1S/C14H14F3N3O3S2/c1-24(2,21)20-25(22,23)19-14-8-10(16)4-6-13(14)18-12-5-3-9(15)7-11(12)17/h3-8,18-19H,1-2H3
InChIKeyNMUOJOHJZXMZJZ-UHFFFAOYSA-N
XLogP3.23
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(2,4-difluoroanilino)-N-methylbenzenesulfonamide
CID 43449192
N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide
CID 10598721
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
3-amino-4-(2,4-difluoroanilino)benzenesulfonamide
CID 43153461
N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide
CID 112989459
methyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate
CID 154764840
1-[4-(2,4-difluoroanilino)phenyl]ethanone
CID 82536666
N-(4-fluoro-2-isocyanatophenyl)methanesulfonamide
CID 169352536
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
2,4-difluoro-N-(2-methoxyphenyl)aniline
CID 82537085
2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126629
N-(2,4-difluorophenyl)pyrrolidine-3-sulfonamide
CID 65420908

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene?
The IUPAC name of 1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene (CID 167882327) is 1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene.
What is the SMILES notation for 1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene?
The canonical SMILES for 1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene is CS(C)(=O)=NS(=O)(=O)Nc1cc(F)ccc1Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene?
The InChIKey is NMUOJOHJZXMZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S2/c1-24(2,21)20-25(22,23)19-14-8-10(16)4-6-13(14)18-12-5-3-9(15)7-11(12)17/h3-8,18-19H,1-2H3.
What are the key properties of 1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene?
1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene has a molecular weight of 393.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoroanilino)-2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-4-fluorobenzene is sourced from PubChem (CID 167882327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).