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

C13H17N3O5S — CID 110320319

IUPAC3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nnc(C)o2)cc1OC
InChIInChI=1S/C13H17N3O5S/c1-9-15-16-13(21-9)6-7-14-22(17,18)10-4-5-11(19-2)12(8-10)20-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyXPCYLKAEBSILFT-UHFFFAOYSA-N
MW327.36 g/mol
LogP0.92
Rot. Bonds7

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

3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110320319) has the molecular formula C13H17N3O5S and a molecular weight of 327.36 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110320319
Molecular FormulaC13H17N3O5S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nnc(C)o2)cc1OC
InChIInChI=1S/C13H17N3O5S/c1-9-15-16-13(21-9)6-7-14-22(17,18)10-4-5-11(19-2)12(8-10)20-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyXPCYLKAEBSILFT-UHFFFAOYSA-N
XLogP0.92
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320320
4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320313
4-methoxy-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321248
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110320363
4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320600
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 54773857
3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide
CID 110409185
3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773890
3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320875
3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 110322110
N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide
CID 3376302
N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 110369999

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (CID 110320319) is 3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2nnc(C)o2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is XPCYLKAEBSILFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S/c1-9-15-16-13(21-9)6-7-14-22(17,18)10-4-5-11(19-2)12(8-10)20-3/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 327.36 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110320319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).