N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide

C17H20FNO5S — CID 47087762

IUPACN-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide
SMILESCCOc1c(OC)cc(CNS(=O)(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H20FNO5S/c1-4-24-17-15(22-2)9-12(10-16(17)23-3)11-19-25(20,21)14-7-5-13(18)6-8-14/h5-10,19H,4,11H2,1-3H3
InChIKeyYSLNIIDONRRXKT-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.72
Rot. Bonds8

About N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide

N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 47087762) has the molecular formula C17H20FNO5S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide
PubChem CID47087762
Molecular FormulaC17H20FNO5S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC NameN-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide
SMILESCCOc1c(OC)cc(CNS(=O)(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H20FNO5S/c1-4-24-17-15(22-2)9-12(10-16(17)23-3)11-19-25(20,21)14-7-5-13(18)6-8-14/h5-10,19H,4,11H2,1-3H3
InChIKeyYSLNIIDONRRXKT-UHFFFAOYSA-N
XLogP2.72
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide
CID 49245676
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 110780300
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 100540260
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 46763335
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 22206204

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide (CID 47087762) is N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide is CCOc1c(OC)cc(CNS(=O)(=O)c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is YSLNIIDONRRXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO5S/c1-4-24-17-15(22-2)9-12(10-16(17)23-3)11-19-25(20,21)14-7-5-13(18)6-8-14/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide?
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 369.41 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 47087762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).