2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide

C16H18FNO4S — CID 73168532

IUPAC2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2ccccc2F)OC)c1
InChIInChI=1S/C16H18FNO4S/c1-21-13-7-5-6-12(10-13)15(22-2)11-18-23(19,20)16-9-4-3-8-14(16)17/h3-10,15,18H,11H2,1-2H3
InChIKeyIPYWWPUDYDUICH-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.50
Rot. Bonds7

About 2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide

2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 73168532) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID73168532
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC Name2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2ccccc2F)OC)c1
InChIInChI=1S/C16H18FNO4S/c1-21-13-7-5-6-12(10-13)15(22-2)11-18-23(19,20)16-9-4-3-8-14(16)17/h3-10,15,18H,11H2,1-2H3
InChIKeyIPYWWPUDYDUICH-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

2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 90623505
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 90623489
2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 90598088
2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584014
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 90623533
3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168543
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
CID 90623112
2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 110663435
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide
CID 90623438
2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 51169275
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 62107638
2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 134017321

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide (CID 73168532) is 2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide is COc1cccc(C(CNS(=O)(=O)c2ccccc2F)OC)c1.
What is the InChIKey of 2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is IPYWWPUDYDUICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-21-13-7-5-6-12(10-13)15(22-2)11-18-23(19,20)16-9-4-3-8-14(16)17/h3-10,15,18H,11H2,1-2H3.
What are the key properties of 2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
2-fluoro-N-[2-methoxy-2-(3-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-(3-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 73168532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).