N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide

C17H20FNO2S — CID 22773407

IUPACN-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2F)c(C)c1C
InChIInChI=1S/C17H20FNO2S/c1-10-11(2)13(4)17(14(5)12(10)3)22(20,21)19-16-9-7-6-8-15(16)18/h6-9,19H,1-5H3
InChIKeyVTSWDIUUPHWBET-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.17
Rot. Bonds3

About N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide

N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 22773407) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID22773407
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC NameN-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2F)c(C)c1C
InChIInChI=1S/C17H20FNO2S/c1-10-11(2)13(4)17(14(5)12(10)3)22(20,21)19-16-9-7-6-8-15(16)18/h6-9,19H,1-5H3
InChIKeyVTSWDIUUPHWBET-UHFFFAOYSA-N
XLogP4.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 134093089
2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 3496622
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3861159
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22773507
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 28536061
N-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 69369794
3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 805440
N-(2-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475140
2-amino-N-(3-fluoro-2-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171388
N-(2-bromophenyl)-2,6-difluorobenzenesulfonamide
CID 2648231

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 22773407) is N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2F)c(C)c1C.
What is the InChIKey of N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is VTSWDIUUPHWBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-10-11(2)13(4)17(14(5)12(10)3)22(20,21)19-16-9-7-6-8-15(16)18/h6-9,19H,1-5H3.
What are the key properties of N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 22773407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).