2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C9H10F4N2O2S — CID 62058300

IUPAC2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C9H10F4N2O2S/c1-15(5-9(11,12)13)18(16,17)7-4-2-3-6(10)8(7)14/h2-4H,5,14H2,1H3
InChIKeyJQKGLAJJLCVPPJ-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.59
Rot. Bonds3

About 2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 62058300) has the molecular formula C9H10F4N2O2S and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID62058300
Molecular FormulaC9H10F4N2O2S
Molecular Weight286.25 g/mol
Exact Mass286.04
IUPAC Name2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C9H10F4N2O2S/c1-15(5-9(11,12)13)18(16,17)7-4-2-3-6(10)8(7)14/h2-4H,5,14H2,1H3
InChIKeyJQKGLAJJLCVPPJ-UHFFFAOYSA-N
XLogP1.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656609
2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
CID 114230052
3-fluoro-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 115589530
2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 62057282
2-amino-3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62058434
2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62146162
2-amino-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79304233
2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60890269
5-amino-3-fluoro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 79896031
2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54979868
5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892303
2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733558

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 62058300) is 2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is JQKGLAJJLCVPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2O2S/c1-15(5-9(11,12)13)18(16,17)7-4-2-3-6(10)8(7)14/h2-4H,5,14H2,1H3.
What are the key properties of 2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 286.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 62058300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).