2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid

C17H16F2N4O4S — CID 163916166

IUPAC2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid
SMILESCCC(/C=N/c1ccc(S(=O)(=O)Nc2cc(F)c(C(=O)O)cc2F)cc1)=NN
InChIInChI=1S/C17H16F2N4O4S/c1-2-10(22-20)9-21-11-3-5-12(6-4-11)28(26,27)23-16-8-14(18)13(17(24)25)7-15(16)19/h3-9,23H,2,20H2,1H3,(H,24,25)/b21-9+,22-10?
InChIKeyMYFBLUDCQPIRFB-OTNSYEHCSA-N
MW410.40 g/mol
LogP2.89
Rot. Bonds7

About 2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid

2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid (PubChem CID 163916166) has the molecular formula C17H16F2N4O4S and a molecular weight of 410.40 g/mol. Its IUPAC name is 2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid
PubChem CID163916166
Molecular FormulaC17H16F2N4O4S
Molecular Weight410.40 g/mol
Exact Mass410.09
IUPAC Name2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid
SMILESCCC(/C=N/c1ccc(S(=O)(=O)Nc2cc(F)c(C(=O)O)cc2F)cc1)=NN
InChIInChI=1S/C17H16F2N4O4S/c1-2-10(22-20)9-21-11-3-5-12(6-4-11)28(26,27)23-16-8-14(18)13(17(24)25)7-15(16)19/h3-9,23H,2,20H2,1H3,(H,24,25)/b21-9+,22-10?
InChIKeyMYFBLUDCQPIRFB-OTNSYEHCSA-N
XLogP2.89
TPSA134.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-difluoro-4-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylamino]benzoic acid
CID 130296884
2,5-difluoro-4-[[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]phenyl]sulfonylamino]benzoic acid
CID 130296835
2,5-difluoro-4-[[4-[(1-methoxycyclopropanecarbonyl)amino]phenyl]sulfonylamino]benzoic acid
CID 130296873
2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid
CID 130296898
4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfonylamino]-2,5-difluorobenzoic acid
CID 130296823
[4-[(2,5-difluoro-4-methoxycarbonylphenyl)sulfamoyl]phenoxy]boronic acid
CID 142768643
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558
2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
CID 61455459
2,4-difluoro-5-(prop-2-enylsulfonylamino)benzoic acid
CID 79672480
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid (CID 163916166) is 2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid is CCC(/C=N/c1ccc(S(=O)(=O)Nc2cc(F)c(C(=O)O)cc2F)cc1)=NN.
What is the InChIKey of 2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid?
The InChIKey is MYFBLUDCQPIRFB-OTNSYEHCSA-N. The full InChI is InChI=1S/C17H16F2N4O4S/c1-2-10(22-20)9-21-11-3-5-12(6-4-11)28(26,27)23-16-8-14(18)13(17(24)25)7-15(16)19/h3-9,23H,2,20H2,1H3,(H,24,25)/b21-9+,22-10?.
What are the key properties of 2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid?
2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid has a molecular weight of 410.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[[4-(2-hydrazinylidenebutylideneamino)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 163916166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).