N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide

C14H12F2N4O5S — CID 50892892

IUPACN-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide
SMILESNNC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12F2N4O5S/c15-9-5-6-11(10(16)7-9)19(8-14(21)18-17)26(24,25)13-4-2-1-3-12(13)20(22)23/h1-7H,8,17H2,(H,18,21)
InChIKeyRKFZQGGGOGYELU-UHFFFAOYSA-N
MW386.34 g/mol
LogP1.06
Rot. Bonds6

About N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide

N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide (PubChem CID 50892892) has the molecular formula C14H12F2N4O5S and a molecular weight of 386.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide
PubChem CID50892892
Molecular FormulaC14H12F2N4O5S
Molecular Weight386.34 g/mol
Exact Mass386.05
IUPAC NameN-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide
SMILESNNC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12F2N4O5S/c15-9-5-6-11(10(16)7-9)19(8-14(21)18-17)26(24,25)13-4-2-1-3-12(13)20(22)23/h1-7H,8,17H2,(H,18,21)
InChIKeyRKFZQGGGOGYELU-UHFFFAOYSA-N
XLogP1.06
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide
CID 50892945
N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 50895365
N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 50889864
N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide
CID 50889940
4-fluoro-N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50890637
2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 50890619
N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1318812
ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50890076
N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2209477
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-[2-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]ethyl]acetamide
CID 43891797
propan-2-yl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50890075
N-(2-chloro-5-nitrophenyl)-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50894131

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide (CID 50892892) is N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide is NNC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide?
The InChIKey is RKFZQGGGOGYELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O5S/c15-9-5-6-11(10(16)7-9)19(8-14(21)18-17)26(24,25)13-4-2-1-3-12(13)20(22)23/h1-7H,8,17H2,(H,18,21).
What are the key properties of N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide?
N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide has a molecular weight of 386.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 50892892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).