3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide

C12H15N3O3S — CID 13409699

IUPAC3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide
SMILESCCc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)o1
InChIInChI=1S/C12H15N3O3S/c1-4-11-13-14-12(18-11)9-6-5-7-10(8-9)19(16,17)15(2)3/h5-8H,4H2,1-3H3
InChIKeyKDTKJNRQFALTOM-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.55
Rot. Bonds4

About 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide

3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 13409699) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID13409699
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide
SMILESCCc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)o1
InChIInChI=1S/C12H15N3O3S/c1-4-11-13-14-12(18-11)9-6-5-7-10(8-9)19(16,17)15(2)3/h5-8H,4H2,1-3H3
InChIKeyKDTKJNRQFALTOM-UHFFFAOYSA-N
XLogP1.55
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide (CID 13409699) is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide is CCc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)o1.
What is the InChIKey of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is KDTKJNRQFALTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-4-11-13-14-12(18-11)9-6-5-7-10(8-9)19(16,17)15(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide?
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 13409699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).