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

C9H10F3NO2S — CID 60762861

IUPACN-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10F3NO2S/c1-13(7-9(10,11)12)16(14,15)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyGEDGZJJPSMFUMO-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.87
Rot. Bonds3

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

N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 60762861) has the molecular formula C9H10F3NO2S and a molecular weight of 253.25 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID60762861
Molecular FormulaC9H10F3NO2S
Molecular Weight253.25 g/mol
Exact Mass253.04
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10F3NO2S/c1-13(7-9(10,11)12)16(14,15)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyGEDGZJJPSMFUMO-UHFFFAOYSA-N
XLogP1.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55024925
N-(bromomethyl)-N-methylbenzenesulfonamide
CID 66916911
N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide
CID 90322547
3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]benzenecarbothioamide
CID 60890642
N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78925058
N-methoxy-N-(trifluoromethyl)benzenesulfonamide
CID 13351208
N-[4-(2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 127029953
N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide
CID 143105273
N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 123917247
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60890269
2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62146162

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 60762861) is N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is GEDGZJJPSMFUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-13(7-9(10,11)12)16(14,15)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 253.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 60762861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).