N-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide

C15H16FNO2S — CID 577346

IUPACN-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C15H16FNO2S/c1-10-8-11(2)15(12(3)9-10)20(18,19)17-14-6-4-13(16)5-7-14/h4-9,17H,1-3H3
InChIKeyCTABIJPYCYSFTA-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.55
Rot. Bonds3

About N-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide

N-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 577346) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID577346
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC NameN-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C15H16FNO2S/c1-10-8-11(2)15(12(3)9-10)20(18,19)17-14-6-4-13(16)5-7-14/h4-9,17H,1-3H3
InChIKeyCTABIJPYCYSFTA-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 N-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide (CID 577346) is N-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is CTABIJPYCYSFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-10-8-11(2)15(12(3)9-10)20(18,19)17-14-6-4-13(16)5-7-14/h4-9,17H,1-3H3.
What are the key properties of N-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide?
N-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide 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 N-(4-fluorophenyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 577346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).