2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C9H12F3N3O2S — CID 60890269

IUPAC2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccccc1NN
InChIInChI=1S/C9H12F3N3O2S/c1-15(6-9(10,11)12)18(16,17)8-5-3-2-4-7(8)14-13/h2-5,14H,6,13H2,1H3
InChIKeyKXMRYUHSAZSHOI-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.15
Rot. Bonds4

About 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 60890269) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.27 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID60890269
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.27 g/mol
Exact Mass283.06
IUPAC Name2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccccc1NN
InChIInChI=1S/C9H12F3N3O2S/c1-15(6-9(10,11)12)18(16,17)8-5-3-2-4-7(8)14-13/h2-5,14H,6,13H2,1H3
InChIKeyKXMRYUHSAZSHOI-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.15
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

2-hydrazinyl-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112661404
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide
CID 63656151
2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62058300
2-hydrazinyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 61377131
2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62146162
2-(3-aminoprop-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891603
N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 113327826
2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62235512
N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide
CID 55000451
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82740399

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 60890269) is 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1ccccc1NN.
What is the InChIKey of 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is KXMRYUHSAZSHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c1-15(6-9(10,11)12)18(16,17)8-5-3-2-4-7(8)14-13/h2-5,14H,6,13H2,1H3.
What are the key properties of 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 283.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 60890269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).