N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide

C19H17FN2O4S — CID 55691601

IUPACN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C19H17FN2O4S/c1-25-17-9-2-3-10-18(17)27(23,24)22-13-14-6-5-11-21-19(14)26-16-8-4-7-15(20)12-16/h2-12,22H,13H2,1H3
InChIKeyZHTIBZFLAJAYSF-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.50
Rot. Bonds7

About N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide (PubChem CID 55691601) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
PubChem CID55691601
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C19H17FN2O4S/c1-25-17-9-2-3-10-18(17)27(23,24)22-13-14-6-5-11-21-19(14)26-16-8-4-7-15(20)12-16/h2-12,22H,13H2,1H3
InChIKeyZHTIBZFLAJAYSF-UHFFFAOYSA-N
XLogP3.50
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 39660154
3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660078
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide
CID 39660247
2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 61059679
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56561894
6-tert-butylsulfonyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]pyridin-3-amine
CID 133373902
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide
CID 26407651
5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166393
2-amino-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 62164569
2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 43414928
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide (CID 55691601) is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCc1cccnc1Oc1cccc(F)c1.
What is the InChIKey of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide?
The InChIKey is ZHTIBZFLAJAYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-25-17-9-2-3-10-18(17)27(23,24)22-13-14-6-5-11-21-19(14)26-16-8-4-7-15(20)12-16/h2-12,22H,13H2,1H3.
What are the key properties of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide?
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide has a molecular weight of 388.42 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 55691601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).