N-methoxy-2-(trifluoromethoxy)benzenesulfonamide

C8H8F3NO4S — CID 60713586

IUPACN-methoxy-2-(trifluoromethoxy)benzenesulfonamide
SMILESCONS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C8H8F3NO4S/c1-15-12-17(13,14)7-5-3-2-4-6(7)16-8(9,10)11/h2-5,12H,1H3
InChIKeyRZNVWGRXJKFHSQ-UHFFFAOYSA-N
MW271.22 g/mol
LogP1.42
Rot. Bonds4

About N-methoxy-2-(trifluoromethoxy)benzenesulfonamide

N-methoxy-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 60713586) has the molecular formula C8H8F3NO4S and a molecular weight of 271.22 g/mol. Its IUPAC name is N-methoxy-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID60713586
Molecular FormulaC8H8F3NO4S
Molecular Weight271.22 g/mol
Exact Mass271.01
IUPAC NameN-methoxy-2-(trifluoromethoxy)benzenesulfonamide
SMILESCONS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C8H8F3NO4S/c1-15-12-17(13,14)7-5-3-2-4-6(7)16-8(9,10)11/h2-5,12H,1H3
InChIKeyRZNVWGRXJKFHSQ-UHFFFAOYSA-N
XLogP1.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63731279
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
sodium 2-(trifluoromethoxy)benzenesulfonate
CID 112705039
N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 112808737
N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 43605972
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 99979776
N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 98539299
2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 35185568
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3841687
N-(3-tert-butyl-2-fluoro-4-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 169074985

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-methoxy-2-(trifluoromethoxy)benzenesulfonamide (CID 60713586) is N-methoxy-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-methoxy-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-methoxy-2-(trifluoromethoxy)benzenesulfonamide is CONS(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-methoxy-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is RZNVWGRXJKFHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO4S/c1-15-12-17(13,14)7-5-3-2-4-6(7)16-8(9,10)11/h2-5,12H,1H3.
What are the key properties of N-methoxy-2-(trifluoromethoxy)benzenesulfonamide?
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 271.22 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 60713586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).