2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide

C16H18FNO4S — CID 90598088

IUPAC2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1C(CNS(=O)(=O)c1ccccc1F)OC
InChIInChI=1S/C16H18FNO4S/c1-21-14-9-5-3-7-12(14)15(22-2)11-18-23(19,20)16-10-6-4-8-13(16)17/h3-10,15,18H,11H2,1-2H3
InChIKeyBDIFILVEKJZDTD-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.50
Rot. Bonds7

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

2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 90598088) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID90598088
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC Name2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1C(CNS(=O)(=O)c1ccccc1F)OC
InChIInChI=1S/C16H18FNO4S/c1-21-14-9-5-3-7-12(14)15(22-2)11-18-23(19,20)16-10-6-4-8-13(16)17/h3-10,15,18H,11H2,1-2H3
InChIKeyBDIFILVEKJZDTD-UHFFFAOYSA-N
XLogP2.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168532
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598155
2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584014
5-chloro-2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598909
3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 71810535
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90598156
2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598905
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 90598090
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 64570507
2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 115763664
2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 71802972

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide (CID 90598088) is 2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccccc1C(CNS(=O)(=O)c1ccccc1F)OC.
What is the InChIKey of 2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is BDIFILVEKJZDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-21-14-9-5-3-7-12(14)15(22-2)11-18-23(19,20)16-10-6-4-8-13(16)17/h3-10,15,18H,11H2,1-2H3.
What are the key properties of 2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide?
2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90598088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).