N-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide

C15H16FNO4S — CID 24656233

IUPACN-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1OC
InChIInChI=1S/C15H16FNO4S/c1-10-8-11(16)4-7-15(10)22(18,19)17-12-5-6-13(20-2)14(9-12)21-3/h4-9,17H,1-3H3
InChIKeyQQCKTQJJXSGWGJ-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.95
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide

N-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 24656233) has the molecular formula C15H16FNO4S and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID24656233
Molecular FormulaC15H16FNO4S
Molecular Weight325.36 g/mol
Exact Mass325.08
IUPAC NameN-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1OC
InChIInChI=1S/C15H16FNO4S/c1-10-8-11(16)4-7-15(10)22(18,19)17-12-5-6-13(20-2)14(9-12)21-3/h4-9,17H,1-3H3
InChIKeyQQCKTQJJXSGWGJ-UHFFFAOYSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide (CID 24656233) is N-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is QQCKTQJJXSGWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S/c1-10-8-11(16)4-7-15(10)22(18,19)17-12-5-6-13(20-2)14(9-12)21-3/h4-9,17H,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide?
N-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 325.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 24656233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).