2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide

C16H16N4O5S — CID 110318618

IUPAC2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2nnc(-c3ccccn3)o2)c1
InChIInChI=1S/C16H16N4O5S/c1-23-11-6-7-13(24-2)14(9-11)26(21,22)18-10-15-19-20-16(25-15)12-5-3-4-8-17-12/h3-9,18H,10H2,1-2H3
InChIKeyIWLSQMNXNYPJJF-UHFFFAOYSA-N
MW376.39 g/mol
LogP1.63
Rot. Bonds7

About 2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide

2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110318618) has the molecular formula C16H16N4O5S and a molecular weight of 376.39 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110318618
Molecular FormulaC16H16N4O5S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2nnc(-c3ccccn3)o2)c1
InChIInChI=1S/C16H16N4O5S/c1-23-11-6-7-13(24-2)14(9-11)26(21,22)18-10-15-19-20-16(25-15)12-5-3-4-8-17-12/h3-9,18H,10H2,1-2H3
InChIKeyIWLSQMNXNYPJJF-UHFFFAOYSA-N
XLogP1.63
TPSA116.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318627
4-methoxy-2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320601
5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 110319082
4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320600
2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318910
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322519
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319996
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
N-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138524

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (CID 110318618) is 2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCc2nnc(-c3ccccn3)o2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is IWLSQMNXNYPJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5S/c1-23-11-6-7-13(24-2)14(9-11)26(21,22)18-10-15-19-20-16(25-15)12-5-3-4-8-17-12/h3-9,18H,10H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 376.39 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110318618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).