N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

C18H19F4NO2S — CID 22773507

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)c(C)c1C
InChIInChI=1S/C18H19F4NO2S/c1-9-10(2)12(4)17(13(5)11(9)3)26(24,25)23-16-8-14(18(20,21)22)6-7-15(16)19/h6-8,23H,1-5H3
InChIKeyNUPQYEOIOJNQRJ-UHFFFAOYSA-N
MW389.41 g/mol
LogP5.19
Rot. Bonds3

About N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 22773507) has the molecular formula C18H19F4NO2S and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID22773507
Molecular FormulaC18H19F4NO2S
Molecular Weight389.41 g/mol
Exact Mass389.11
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)c(C)c1C
InChIInChI=1S/C18H19F4NO2S/c1-9-10(2)12(4)17(13(5)11(9)3)26(24,25)23-16-8-14(18(20,21)22)6-7-15(16)19/h6-8,23H,1-5H3
InChIKeyNUPQYEOIOJNQRJ-UHFFFAOYSA-N
XLogP5.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 17376520
N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 22773510
2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22773502
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 3868104
N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22773407
N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 63037026
2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 51557780
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3861159
2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 63037370
N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326617
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201415

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 22773507) is N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)c(C)c1C.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is NUPQYEOIOJNQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4NO2S/c1-9-10(2)12(4)17(13(5)11(9)3)26(24,25)23-16-8-14(18(20,21)22)6-7-15(16)19/h6-8,23H,1-5H3.
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 389.41 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 22773507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).