N-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide

C20H17N5O4S — CID 44581683

IUPACN-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide
SMILESCOc1ccc(N(Cc2nc(-c3ccccc3)no2)S(=O)(=O)c2ccccn2)cn1
InChIInChI=1S/C20H17N5O4S/c1-28-17-11-10-16(13-22-17)25(30(26,27)19-9-5-6-12-21-19)14-18-23-20(24-29-18)15-7-3-2-4-8-15/h2-13H,14H2,1H3
InChIKeyWXFWOXXIDMYSCM-UHFFFAOYSA-N
MW423.45 g/mol
LogP2.93
Rot. Bonds7

About N-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide

N-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide (PubChem CID 44581683) has the molecular formula C20H17N5O4S and a molecular weight of 423.45 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide
PubChem CID44581683
Molecular FormulaC20H17N5O4S
Molecular Weight423.45 g/mol
Exact Mass423.10
IUPAC NameN-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide
SMILESCOc1ccc(N(Cc2nc(-c3ccccc3)no2)S(=O)(=O)c2ccccn2)cn1
InChIInChI=1S/C20H17N5O4S/c1-28-17-11-10-16(13-22-17)25(30(26,27)19-9-5-6-12-21-19)14-18-23-20(24-29-18)15-7-3-2-4-8-15/h2-13H,14H2,1H3
InChIKeyWXFWOXXIDMYSCM-UHFFFAOYSA-N
XLogP2.93
TPSA111.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide (CID 44581683) is N-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide is COc1ccc(N(Cc2nc(-c3ccccc3)no2)S(=O)(=O)c2ccccn2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide?
The InChIKey is WXFWOXXIDMYSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S/c1-28-17-11-10-16(13-22-17)25(30(26,27)19-9-5-6-12-21-19)14-18-23-20(24-29-18)15-7-3-2-4-8-15/h2-13H,14H2,1H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide?
N-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide has a molecular weight of 423.45 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 44581683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).