2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide

C11H12F2N2O3S — CID 83022545

IUPAC2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1c(F)cc(F)cc1C#CCO
InChIInChI=1S/C11H12F2N2O3S/c1-15(2)14-19(17,18)11-8(4-3-5-16)6-9(12)7-10(11)13/h6-7,14,16H,5H2,1-2H3
InChIKeyXLRYOZGTRUHWAG-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.06
Rot. Bonds3

About 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide

2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide (PubChem CID 83022545) has the molecular formula C11H12F2N2O3S and a molecular weight of 290.29 g/mol. Its IUPAC name is 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
PubChem CID83022545
Molecular FormulaC11H12F2N2O3S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC Name2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1c(F)cc(F)cc1C#CCO
InChIInChI=1S/C11H12F2N2O3S/c1-15(2)14-19(17,18)11-8(4-3-5-16)6-9(12)7-10(11)13/h6-7,14,16H,5H2,1-2H3
InChIKeyXLRYOZGTRUHWAG-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide 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

4-fluoro-2-(6-hydroxyhex-1-ynyl)-N-methylbenzenesulfonamide
CID 23655206
4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 54879966
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 54880005
N-ethyl-2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 54926209
N-ethyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 54926305
2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 54926343
N-ethyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 54926438
2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-propan-2-ylbenzenesulfonamide
CID 54926669
N-cyclopropyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 54926863
4-(3,5-Difluoro-2-pyrrolidin-1-ylsulfonylphenyl)but-3-yn-1-ol
CID 60822546
N-[2-(dimethylamino)ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60822567
2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-pentylbenzenesulfonamide
CID 60822584

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide?
The IUPAC name of 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide (CID 83022545) is 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide is CN(C)NS(=O)(=O)c1c(F)cc(F)cc1C#CCO.
What is the InChIKey of 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide?
The InChIKey is XLRYOZGTRUHWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3S/c1-15(2)14-19(17,18)11-8(4-3-5-16)6-9(12)7-10(11)13/h6-7,14,16H,5H2,1-2H3.
What are the key properties of 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide?
2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide has a molecular weight of 290.29 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 83022545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).