N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide

C11H17F2N3O2S — CID 107328167

IUPACN-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N(C)CC(F)F
InChIInChI=1S/C11H17F2N3O2S/c1-7-4-9(15-14)5-8(2)11(7)19(17,18)16(3)6-10(12)13/h4-5,10,15H,6,14H2,1-3H3
InChIKeyFKDJDHROMBHCTQ-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.47
Rot. Bonds5

About N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide

N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide (PubChem CID 107328167) has the molecular formula C11H17F2N3O2S and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
PubChem CID107328167
Molecular FormulaC11H17F2N3O2S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC NameN-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N(C)CC(F)F
InChIInChI=1S/C11H17F2N3O2S/c1-7-4-9(15-14)5-8(2)11(7)19(17,18)16(3)6-10(12)13/h4-5,10,15H,6,14H2,1-3H3
InChIKeyFKDJDHROMBHCTQ-UHFFFAOYSA-N
XLogP1.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 107327900
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
CID 107328017
3-amino-N-(2,2-difluoroethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326195
4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide
CID 107327994
4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide
CID 107327779
N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 107327941
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327891
4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 107327983
methyl 3-[2,2-difluoroethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749343
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107493796
4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide
CID 107328647
3-amino-4-fluoro-N-(2-hydroxypropyl)-N,2,6-trimethylbenzenesulfonamide
CID 107325795

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide (CID 107328167) is N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide is Cc1cc(NN)cc(C)c1S(=O)(=O)N(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide?
The InChIKey is FKDJDHROMBHCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2S/c1-7-4-9(15-14)5-8(2)11(7)19(17,18)16(3)6-10(12)13/h4-5,10,15H,6,14H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide?
N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide has a molecular weight of 293.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 107328167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).