N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide

C16H18FNO4S — CID 110782021

IUPACN-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1F
InChIInChI=1S/C16H18FNO4S/c1-3-22-16-9-4-12(10-15(16)17)11-18-23(19,20)14-7-5-13(21-2)6-8-14/h4-10,18H,3,11H2,1-2H3
InChIKeyFWSWCVAUJZYSFX-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.71
Rot. Bonds7

About N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide

N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 110782021) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
PubChem CID110782021
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC NameN-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1F
InChIInChI=1S/C16H18FNO4S/c1-3-22-16-9-4-12(10-15(16)17)11-18-23(19,20)14-7-5-13(21-2)6-8-14/h4-10,18H,3,11H2,1-2H3
InChIKeyFWSWCVAUJZYSFX-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
4-bromo-3-ethoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 91758592
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 33040103
N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 110782022
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 110788857
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 110782101
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide (CID 110782021) is N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide is CCOc1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1F.
What is the InChIKey of N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is FWSWCVAUJZYSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-3-22-16-9-4-12(10-15(16)17)11-18-23(19,20)14-7-5-13(21-2)6-8-14/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide?
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110782021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).