4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide

C15H16FNO2S — CID 3518281

IUPAC4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C15H16FNO2S/c1-10-8-11(2)15(12(3)9-10)17-20(18,19)14-6-4-13(16)5-7-14/h4-9,17H,1-3H3
InChIKeyOHWQFHNXCYMDCP-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.55
Rot. Bonds3

About 4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide

4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide (PubChem CID 3518281) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide
PubChem CID3518281
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C15H16FNO2S/c1-10-8-11(2)15(12(3)9-10)17-20(18,19)14-6-4-13(16)5-7-14/h4-9,17H,1-3H3
InChIKeyOHWQFHNXCYMDCP-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide (CID 3518281) is 4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide is Cc1cc(C)c(NS(=O)(=O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The InChIKey is OHWQFHNXCYMDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-10-8-11(2)15(12(3)9-10)17-20(18,19)14-6-4-13(16)5-7-14/h4-9,17H,1-3H3.
What are the key properties of 4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 3518281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).