N-methoxy-N-(trifluoromethyl)benzenesulfonamide

C8H8F3NO3S — CID 13351208

IUPACN-methoxy-N-(trifluoromethyl)benzenesulfonamide
SMILESCON(C(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C8H8F3NO3S/c1-15-12(8(9,10)11)16(13,14)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyJDUDKRJBZWWHDP-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.76
Rot. Bonds3

About N-methoxy-N-(trifluoromethyl)benzenesulfonamide

N-methoxy-N-(trifluoromethyl)benzenesulfonamide (PubChem CID 13351208) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is N-methoxy-N-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-N-(trifluoromethyl)benzenesulfonamide
PubChem CID13351208
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC NameN-methoxy-N-(trifluoromethyl)benzenesulfonamide
SMILESCON(C(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C8H8F3NO3S/c1-15-12(8(9,10)11)16(13,14)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyJDUDKRJBZWWHDP-UHFFFAOYSA-N
XLogP1.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
N-methoxy-N-phenylbenzenesulfonamide
CID 10801496
N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide
CID 166448950
N-tert-butyl-N-(methoxymethyl)benzenesulfonamide
CID 69186977
ethane;trifluoromethylsulfonylbenzene
CID 144556552
(benzenesulfonyl-fluoro-iodomethyl)sulfonylbenzene
CID 132518084
N-(bromomethyl)-N-methylbenzenesulfonamide
CID 66916911
N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide
CID 45281207
N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 123917247
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide
CID 90322547
[dimethyl(phenyl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 12977680

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-methoxy-N-(trifluoromethyl)benzenesulfonamide (CID 13351208) is N-methoxy-N-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-methoxy-N-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-methoxy-N-(trifluoromethyl)benzenesulfonamide is CON(C(F)(F)F)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methoxy-N-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JDUDKRJBZWWHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3S/c1-15-12(8(9,10)11)16(13,14)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of N-methoxy-N-(trifluoromethyl)benzenesulfonamide?
N-methoxy-N-(trifluoromethyl)benzenesulfonamide has a molecular weight of 255.22 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 13351208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).