4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide

C8H7F4NO2S — CID 165446474

IUPAC4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C8H7F4NO2S/c1-13-16(14,15)7-3-2-5(9)4-6(7)8(10,11)12/h2-4,13H,1H3
InChIKeyQMSXYXSMEMYMCA-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.75
Rot. Bonds2

About 4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide

4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 165446474) has the molecular formula C8H7F4NO2S and a molecular weight of 257.21 g/mol. Its IUPAC name is 4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID165446474
Molecular FormulaC8H7F4NO2S
Molecular Weight257.21 g/mol
Exact Mass257.01
IUPAC Name4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C8H7F4NO2S/c1-13-16(14,15)7-3-2-5(9)4-6(7)8(10,11)12/h2-4,13H,1H3
InChIKeyQMSXYXSMEMYMCA-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-methylpropanoic acid
CID 71246717
N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide
CID 120664946
4-chloro-N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 2506765
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 120720257
2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 142108163
N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119983219
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980033
N-[1-(aminomethyl)cyclopentyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980813
N-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide
CID 86887971
4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
CID 43476927
3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpropanoic acid
CID 174640782
2-tert-butyl-4-fluoro-1-methylsulfonylbenzene
CID 129167909

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide (CID 165446474) is 4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide is CNS(=O)(=O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QMSXYXSMEMYMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO2S/c1-13-16(14,15)7-3-2-5(9)4-6(7)8(10,11)12/h2-4,13H,1H3.
What are the key properties of 4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 257.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 165446474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).