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

C8H7F4NO2S — CID 142108163

IUPAC2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C8H7F4NO2S/c1-13-16(14,15)7-3-2-5(4-6(7)9)8(10,11)12/h2-4,13H,1H3
InChIKeyCAZNFPRTGADMRL-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.75
Rot. Bonds2

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

2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 142108163) has the molecular formula C8H7F4NO2S and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID142108163
Molecular FormulaC8H7F4NO2S
Molecular Weight257.21 g/mol
Exact Mass257.01
IUPAC Name2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C8H7F4NO2S/c1-13-16(14,15)7-3-2-5(4-6(7)9)8(10,11)12/h2-4,13H,1H3
InChIKeyCAZNFPRTGADMRL-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-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 170112817
2-fluoro-4-(trifluoromethyl)benzenesulfonate
CID 22057394
2-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 122068118
4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 165446474
2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3821577
2-[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylethanesulfonamide
CID 107303968
2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 27305807
4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide
CID 146570721
2-ethylsulfonyl-1-fluoro-4-(trifluoromethyl)benzene
CID 157365281
4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide
CID 67225169
4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 124926790
2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide
CID 162420965

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide (CID 142108163) is 2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide is CNS(=O)(=O)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CAZNFPRTGADMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO2S/c1-13-16(14,15)7-3-2-5(4-6(7)9)8(10,11)12/h2-4,13H,1H3.
What are the key properties of 2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
2-fluoro-N-methyl-4-(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 2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 142108163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).