N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide

C15H15F2NO3S — CID 39825088

IUPACN-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1C
InChIInChI=1S/C15H15F2NO3S/c1-3-21-14-8-7-11(9-10(14)2)22(19,20)18-15-12(16)5-4-6-13(15)17/h4-9,18H,3H2,1-2H3
InChIKeyZLFAHMORSHLJJC-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.47
Rot. Bonds5

About N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide

N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide (PubChem CID 39825088) has the molecular formula C15H15F2NO3S and a molecular weight of 327.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
PubChem CID39825088
Molecular FormulaC15H15F2NO3S
Molecular Weight327.35 g/mol
Exact Mass327.07
IUPAC NameN-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1C
InChIInChI=1S/C15H15F2NO3S/c1-3-21-14-8-7-11(9-10(14)2)22(19,20)18-15-12(16)5-4-6-13(15)17/h4-9,18H,3H2,1-2H3
InChIKeyZLFAHMORSHLJJC-UHFFFAOYSA-N
XLogP3.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
CID 122303147
4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2991516
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 39824387
N-(2,6-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890868
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide
CID 154781020
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide
CID 9055836
N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide
CID 115733544

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide (CID 39825088) is N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1C.
What is the InChIKey of N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide?
The InChIKey is ZLFAHMORSHLJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3S/c1-3-21-14-8-7-11(9-10(14)2)22(19,20)18-15-12(16)5-4-6-13(15)17/h4-9,18H,3H2,1-2H3.
What are the key properties of N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide?
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide has a molecular weight of 327.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 39825088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).