N,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C13H17N3O3S2 — CID 860211

IUPACN,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nnc(SC)o2)cc1
InChIInChI=1S/C13H17N3O3S2/c1-4-16(5-2)21(17,18)11-8-6-10(7-9-11)12-14-15-13(19-12)20-3/h6-9H,4-5H2,1-3H3
InChIKeyRMHDWWSHIMTXGQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.49
Rot. Bonds6

About N,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

N,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 860211) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID860211
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC NameN,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nnc(SC)o2)cc1
InChIInChI=1S/C13H17N3O3S2/c1-4-16(5-2)21(17,18)11-8-6-10(7-9-11)12-14-15-13(19-12)20-3/h6-9H,4-5H2,1-3H3
InChIKeyRMHDWWSHIMTXGQ-UHFFFAOYSA-N
XLogP2.49
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-[1,3,4]Oxadiazol-2-yl-benzenesulfonyl)-piperidine
CID 1519125
N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 655511
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-(Methylthio)-5-phenyl-1,3,4-oxadiazole
CID 779314
N,N-Diethyl-4-[5-(5-p-tolyl-[1,3,4]oxadiazol-2-ylmethylsulfanyl)-[1,3,4]oxadiazol-2-yl]-benzenesulfonamide
CID 647628
N,N-Diethyl-4-[5-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-[1,3,4]oxadiazol-2-yl]-benzenesulfonamide
CID 647790
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 860211) is N,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SC)o2)cc1.
What is the InChIKey of N,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is RMHDWWSHIMTXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-4-16(5-2)21(17,18)11-8-6-10(7-9-11)12-14-15-13(19-12)20-3/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
N,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 327.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 860211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).