N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide

C14H11F4NO3S — CID 18148145

IUPACN-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H11F4NO3S/c1-9-8-10(15)6-7-11(9)19-23(20,21)13-5-3-2-4-12(13)22-14(16,17)18/h2-8,19H,1H3
InChIKeyUBTWXULMCWTHBD-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.83
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide

N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 18148145) has the molecular formula C14H11F4NO3S and a molecular weight of 349.31 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID18148145
Molecular FormulaC14H11F4NO3S
Molecular Weight349.31 g/mol
Exact Mass349.04
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H11F4NO3S/c1-9-8-10(15)6-7-11(9)19-23(20,21)13-5-3-2-4-12(13)22-14(16,17)18/h2-8,19H,1H3
InChIKeyUBTWXULMCWTHBD-UHFFFAOYSA-N
XLogP3.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-tert-butyl-2-fluoro-4-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 169074985
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3851198
methyl 5-methoxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 47951627
N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31069220
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 46535021
2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 32676606
methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3481209
N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 112808737

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 18148145) is N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is UBTWXULMCWTHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO3S/c1-9-8-10(15)6-7-11(9)19-23(20,21)13-5-3-2-4-12(13)22-14(16,17)18/h2-8,19H,1H3.
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 349.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 18148145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).