N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide

C17H20FNO4S — CID 110618623

IUPACN-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)CCc2ccccc2F)cc1OC
InChIInChI=1S/C17H20FNO4S/c1-19(14-8-9-16(22-2)17(12-14)23-3)24(20,21)11-10-13-6-4-5-7-15(13)18/h4-9,12H,10-11H2,1-3H3
InChIKeyPYBBRQYLDXRYIO-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.85
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide

N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide (PubChem CID 110618623) has the molecular formula C17H20FNO4S and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide
PubChem CID110618623
Molecular FormulaC17H20FNO4S
Molecular Weight353.42 g/mol
Exact Mass353.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)CCc2ccccc2F)cc1OC
InChIInChI=1S/C17H20FNO4S/c1-19(14-8-9-16(22-2)17(12-14)23-3)24(20,21)11-10-13-6-4-5-7-15(13)18/h4-9,12H,10-11H2,1-3H3
InChIKeyPYBBRQYLDXRYIO-UHFFFAOYSA-N
XLogP2.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide
CID 110425472
N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide
CID 110618633
N-(3,4-dimethoxyphenyl)-4-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46022040
N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide
CID 110601561
3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113130221
N-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 46022543
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094
3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 30329135
1-[2-(2-fluorophenyl)ethyl]-4-methoxynaphthalene
CID 175737781
2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 60643138
2-(2-fluorophenyl)ethanesulfonyl chloride
CID 2759096
benzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 160690203

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide (CID 110618623) is N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide is COc1ccc(N(C)S(=O)(=O)CCc2ccccc2F)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide?
The InChIKey is PYBBRQYLDXRYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4S/c1-19(14-8-9-16(22-2)17(12-14)23-3)24(20,21)11-10-13-6-4-5-7-15(13)18/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide?
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide is sourced from PubChem (CID 110618623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).