N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

C20H15F2N3O5S — CID 2209477

IUPACN-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1c(F)cccc1F
InChIInChI=1S/C20H15F2N3O5S/c21-15-9-6-10-16(22)20(15)23-19(26)13-24(14-7-2-1-3-8-14)31(29,30)18-12-5-4-11-17(18)25(27)28/h1-12H,13H2,(H,23,26)
InChIKeyZCXQVIATVRRMCT-UHFFFAOYSA-N
MW447.42 g/mol
LogP3.71
Rot. Bonds7

About N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide (PubChem CID 2209477) has the molecular formula C20H15F2N3O5S and a molecular weight of 447.42 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
PubChem CID2209477
Molecular FormulaC20H15F2N3O5S
Molecular Weight447.42 g/mol
Exact Mass447.07
IUPAC NameN-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1c(F)cccc1F
InChIInChI=1S/C20H15F2N3O5S/c21-15-9-6-10-16(22)20(15)23-19(26)13-24(14-7-2-1-3-8-14)31(29,30)18-12-5-4-11-17(18)25(27)28/h1-12H,13H2,(H,23,26)
InChIKeyZCXQVIATVRRMCT-UHFFFAOYSA-N
XLogP3.71
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
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

N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1318812
N-(3-chloro-4-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1310867
N-(3-methylsulfanylphenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1320235
N-(2,6-difluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2223913
4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide
CID 51345106
2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1319342
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 43879296
N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 30173681
2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 50890619
N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2854777
N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 50889864
N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide
CID 50889940

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide (CID 2209477) is N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The InChIKey is ZCXQVIATVRRMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O5S/c21-15-9-6-10-16(22)20(15)23-19(26)13-24(14-7-2-1-3-8-14)31(29,30)18-12-5-4-11-17(18)25(27)28/h1-12H,13H2,(H,23,26).
What are the key properties of N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide has a molecular weight of 447.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 2209477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).