N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide

C15H13F4NO3S — CID 28560482

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1C
InChIInChI=1S/C15H13F4NO3S/c1-9-7-11(4-6-14(9)23-2)24(21,22)20-10-3-5-13(16)12(8-10)15(17,18)19/h3-8,20H,1-2H3
InChIKeyIPNPEGDRBHGGTF-UHFFFAOYSA-N
MW363.33 g/mol
LogP3.96
Rot. Bonds4

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 28560482) has the molecular formula C15H13F4NO3S and a molecular weight of 363.33 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID28560482
Molecular FormulaC15H13F4NO3S
Molecular Weight363.33 g/mol
Exact Mass363.06
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1C
InChIInChI=1S/C15H13F4NO3S/c1-9-7-11(4-6-14(9)23-2)24(21,22)20-10-3-5-13(16)12(8-10)15(17,18)19/h3-8,20H,1-2H3
InChIKeyIPNPEGDRBHGGTF-UHFFFAOYSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501
2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 28555605
N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 51125858
N-[2-methoxy-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 24580787
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 1345813
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 28560515
2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3778972
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
(3S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 28549944
4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3694127

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide (CID 28560482) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1C.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is IPNPEGDRBHGGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO3S/c1-9-7-11(4-6-14(9)23-2)24(21,22)20-10-3-5-13(16)12(8-10)15(17,18)19/h3-8,20H,1-2H3.
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 363.33 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 28560482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).