4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide

C16H18FNO3S — CID 90598844

IUPAC4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(F)cc1)c1ccccc1C
InChIInChI=1S/C16H18FNO3S/c1-12-5-3-4-6-15(12)16(21-2)11-18-22(19,20)14-9-7-13(17)8-10-14/h3-10,16,18H,11H2,1-2H3
InChIKeyJRABDBCENRZUTB-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.80
Rot. Bonds6

About 4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide

4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 90598844) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID90598844
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(F)cc1)c1ccccc1C
InChIInChI=1S/C16H18FNO3S/c1-12-5-3-4-6-15(12)16(21-2)11-18-22(19,20)14-9-7-13(17)8-10-14/h3-10,16,18H,11H2,1-2H3
InChIKeyJRABDBCENRZUTB-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide (CID 90598844) is 4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide is COC(CNS(=O)(=O)c1ccc(F)cc1)c1ccccc1C.
What is the InChIKey of 4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is JRABDBCENRZUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-12-5-3-4-6-15(12)16(21-2)11-18-22(19,20)14-9-7-13(17)8-10-14/h3-10,16,18H,11H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90598844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).