N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide

C12H15N3O3S — CID 655511

IUPACN,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C12H15N3O3S/c1-3-15(4-2)19(16,17)11-7-5-10(6-8-11)12-14-13-9-18-12/h5-9H,3-4H2,1-2H3
InChIKeyGJRMSZQQRNRVHK-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.77
Rot. Bonds5

About N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide

N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 655511) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID655511
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C12H15N3O3S/c1-3-15(4-2)19(16,17)11-7-5-10(6-8-11)12-14-13-9-18-12/h5-9H,3-4H2,1-2H3
InChIKeyGJRMSZQQRNRVHK-UHFFFAOYSA-N
XLogP1.77
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1,3,4-Oxadiazol-2-yl)phenyl]sulfonylmorpholine
CID 2408761
1-(4-[1,3,4]Oxadiazol-2-yl-benzenesulfonyl)-piperidine
CID 1519125
N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 2372906
4-[5-(2-Phenylethyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526874
4-(5-Cyclohexyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526881
4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526887
4-(5-Cyclopentyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526895
2-(4-Methyl-benzylsulfanyl)-5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazole
CID 648399
{5-[4-(Piperidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetic acid methyl ester
CID 648859
N,N-Diethyl-4-(5-methylsulfanyl-[1,3,4]oxadiazol-2-yl)-benzenesulfonamide
CID 860211
N,N-Diethyl-2-{5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 1152538
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 5158895

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 655511) is N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2nnco2)cc1.
What is the InChIKey of N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is GJRMSZQQRNRVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-3-15(4-2)19(16,17)11-7-5-10(6-8-11)12-14-13-9-18-12/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide?
N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 655511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).