N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide

C17H13F2N3O3S — CID 26407651

IUPACN-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1cccnc1Oc1ccc(F)cc1F)c1cccnc1
InChIInChI=1S/C17H13F2N3O3S/c18-13-5-6-16(15(19)9-13)25-17-12(3-1-8-21-17)10-22-26(23,24)14-4-2-7-20-11-14/h1-9,11,22H,10H2
InChIKeySEDBBDWSCONDPD-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.03
Rot. Bonds6

About N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide

N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide (PubChem CID 26407651) has the molecular formula C17H13F2N3O3S and a molecular weight of 377.37 g/mol. Its IUPAC name is N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide
PubChem CID26407651
Molecular FormulaC17H13F2N3O3S
Molecular Weight377.37 g/mol
Exact Mass377.06
IUPAC NameN-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1cccnc1Oc1ccc(F)cc1F)c1cccnc1
InChIInChI=1S/C17H13F2N3O3S/c18-13-5-6-16(15(19)9-13)25-17-12(3-1-8-21-17)10-22-26(23,24)14-4-2-7-20-11-14/h1-9,11,22H,10H2
InChIKeySEDBBDWSCONDPD-UHFFFAOYSA-N
XLogP3.03
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660078
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 42520255
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxyacetamide
CID 56751588
N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
CID 25045130
[2-(2,4-difluorophenoxy)-3-pyridinyl]methanol
CID 61256286
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxypropanamide
CID 56738262
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
CID 55691601
(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide
CID 95219679
(2R)-2-amino-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 56759225
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 39660154
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylacetamide
CID 26412943
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide
CID 39660247

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide (CID 26407651) is N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide is O=S(=O)(NCc1cccnc1Oc1ccc(F)cc1F)c1cccnc1.
What is the InChIKey of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide?
The InChIKey is SEDBBDWSCONDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3S/c18-13-5-6-16(15(19)9-13)25-17-12(3-1-8-21-17)10-22-26(23,24)14-4-2-7-20-11-14/h1-9,11,22H,10H2.
What are the key properties of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide?
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide has a molecular weight of 377.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 26407651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).