N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide

C14H12F2N4O5S — CID 50892945

IUPACN-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide
SMILESNNC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12F2N4O5S/c15-9-4-5-13(12(16)6-9)19(8-14(21)18-17)26(24,25)11-3-1-2-10(7-11)20(22)23/h1-7H,8,17H2,(H,18,21)
InChIKeyKQBAZMSAVGQFLN-UHFFFAOYSA-N
MW386.34 g/mol
LogP1.06
Rot. Bonds6

About N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide

N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide (PubChem CID 50892945) 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)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide
PubChem CID50892945
Molecular FormulaC14H12F2N4O5S
Molecular Weight386.34 g/mol
Exact Mass386.05
IUPAC NameN-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide
SMILESNNC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12F2N4O5S/c15-9-4-5-13(12(16)6-9)19(8-14(21)18-17)26(24,25)11-3-1-2-10(7-11)20(22)23/h1-7H,8,17H2,(H,18,21)
InChIKeyKQBAZMSAVGQFLN-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)-2-nitrobenzenesulfonamide
CID 50892892
N-(2,4-difluorophenyl)-N-ethyl-3-nitrobenzenesulfonamide
CID 100522809
N-(2-hydrazinyl-2-oxoethyl)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 50889920
N-(2-chloro-5-nitrophenyl)-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50894131
N-(3-bromophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide
CID 50890842
N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-3-nitrobenzenesulfonamide
CID 50889987
4-fluoro-N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50890637
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2,4-difluorophenyl)acetamide
CID 1317979
N-(2-hydrazinyl-2-oxoethyl)-N-(4-nitrophenyl)benzenesulfonamide
CID 91671587
2-(2-bromo-N-(3-nitrophenyl)sulfonylanilino)acetyl chloride
CID 50890405
N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 50890158
2-(2,3-dimethyl-N-(3-nitrophenyl)sulfonylanilino)acetyl chloride
CID 50891800

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide (CID 50892945) is N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide is NNC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide?
The InChIKey is KQBAZMSAVGQFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O5S/c15-9-4-5-13(12(16)6-9)19(8-14(21)18-17)26(24,25)11-3-1-2-10(7-11)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)-3-nitrobenzenesulfonamide?
N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-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)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 50892945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).