N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide

C20H19FN2O5S — CID 39660154

IUPACN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2cccnc2Oc2cccc(F)c2)c1
InChIInChI=1S/C20H19FN2O5S/c1-26-16-8-9-18(27-2)19(12-16)29(24,25)23-13-14-5-4-10-22-20(14)28-17-7-3-6-15(21)11-17/h3-12,23H,13H2,1-2H3
InChIKeyQGKMFKVUIVWQIO-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.51
Rot. Bonds8

About N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 39660154) has the molecular formula C20H19FN2O5S and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID39660154
Molecular FormulaC20H19FN2O5S
Molecular Weight418.45 g/mol
Exact Mass418.10
IUPAC NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2cccnc2Oc2cccc(F)c2)c1
InChIInChI=1S/C20H19FN2O5S/c1-26-16-8-9-18(27-2)19(12-16)29(24,25)23-13-14-5-4-10-22-20(14)28-17-7-3-6-15(21)11-17/h3-12,23H,13H2,1-2H3
InChIKeyQGKMFKVUIVWQIO-UHFFFAOYSA-N
XLogP3.51
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
CID 55691601
3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660078
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide
CID 39660247
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 53288976
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56561894
5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166393
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 61059679
2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 18152497
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide
CID 26407651
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide (CID 39660154) is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCc2cccnc2Oc2cccc(F)c2)c1.
What is the InChIKey of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is QGKMFKVUIVWQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O5S/c1-26-16-8-9-18(27-2)19(12-16)29(24,25)23-13-14-5-4-10-22-20(14)28-17-7-3-6-15(21)11-17/h3-12,23H,13H2,1-2H3.
What are the key properties of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide?
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 418.45 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 39660154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).