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

C16H16N4O5S — CID 110318763

IUPAC3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nnc(-c3cccnc3)o2)cc1OC
InChIInChI=1S/C16H16N4O5S/c1-23-13-6-5-12(8-14(13)24-2)26(21,22)18-10-15-19-20-16(25-15)11-4-3-7-17-9-11/h3-9,18H,10H2,1-2H3
InChIKeyRZSSFZKRXNIQRL-UHFFFAOYSA-N
MW376.39 g/mol
LogP1.63
Rot. Bonds7

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

3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110318763) has the molecular formula C16H16N4O5S and a molecular weight of 376.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110318763
Molecular FormulaC16H16N4O5S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nnc(-c3cccnc3)o2)cc1OC
InChIInChI=1S/C16H16N4O5S/c1-23-13-6-5-12(8-14(13)24-2)26(21,22)18-10-15-19-20-16(25-15)11-4-3-7-17-9-11/h3-9,18H,10H2,1-2H3
InChIKeyRZSSFZKRXNIQRL-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

4-ethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318797
3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91816113
3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318627
N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide
CID 110318742
2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318910
N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110320750
3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318682
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
4-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319458
N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 69469895
1-(2-chlorophenyl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 110318782
3-chloro-4-methoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110368371

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (CID 110318763) is 3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2nnc(-c3cccnc3)o2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is RZSSFZKRXNIQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5S/c1-23-13-6-5-12(8-14(13)24-2)26(21,22)18-10-15-19-20-16(25-15)11-4-3-7-17-9-11/h3-9,18H,10H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
3,4-dimethoxy-N-[(5-pyridin-3-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 3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110318763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).