4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide

C15H13F4NO3S — CID 46535021

IUPAC4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C15H13F4NO3S/c1-10-8-11(16)6-7-14(10)24(21,22)20-12-4-2-3-5-13(12)23-9-15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyVQRONGVNDXWPJG-UHFFFAOYSA-N
MW363.33 g/mol
LogP3.88
Rot. Bonds5

About 4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide

4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide (PubChem CID 46535021) has the molecular formula C15H13F4NO3S and a molecular weight of 363.33 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
PubChem CID46535021
Molecular FormulaC15H13F4NO3S
Molecular Weight363.33 g/mol
Exact Mass363.06
IUPAC Name4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C15H13F4NO3S/c1-10-8-11(16)6-7-14(10)24(21,22)20-12-4-2-3-5-13(12)23-9-15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyVQRONGVNDXWPJG-UHFFFAOYSA-N
XLogP3.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 24656665
N-[3-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-4-methylphenyl]acetamide
CID 24656690
N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 18148145
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569504
2-methoxy-5-nitro-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 18141956
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
N-(2-bromo-4-fluorophenyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 3738107

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide (CID 46535021) is 4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1OCC(F)(F)F.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide?
The InChIKey is VQRONGVNDXWPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO3S/c1-10-8-11(16)6-7-14(10)24(21,22)20-12-4-2-3-5-13(12)23-9-15(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide has a molecular weight of 363.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 46535021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).