N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide

C15H16FNO3S — CID 118707082

IUPACN-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cc(F)cc2C)cc1
InChIInChI=1S/C15H16FNO3S/c1-10-8-12(16)9-11(2)15(10)17-21(18,19)14-6-4-13(20-3)5-7-14/h4-9,17H,1-3H3
InChIKeyNUOBXQAPYLIWGR-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.25
Rot. Bonds4

About N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide

N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 118707082) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
PubChem CID118707082
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cc(F)cc2C)cc1
InChIInChI=1S/C15H16FNO3S/c1-10-8-12(16)9-11(2)15(10)17-21(18,19)14-6-4-13(20-3)5-7-14/h4-9,17H,1-3H3
InChIKeyNUOBXQAPYLIWGR-UHFFFAOYSA-N
XLogP3.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide (CID 118707082) is N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)cc(F)cc2C)cc1.
What is the InChIKey of N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is NUOBXQAPYLIWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-10-8-12(16)9-11(2)15(10)17-21(18,19)14-6-4-13(20-3)5-7-14/h4-9,17H,1-3H3.
What are the key properties of N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 118707082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).