N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide

C17H17N3O3S — CID 2372906

IUPACN,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(-c3nnco3)cc2)cc1
InChIInChI=1S/C17H17N3O3S/c1-13-3-9-16(10-4-13)24(21,22)20(2)11-14-5-7-15(8-6-14)17-19-18-12-23-17/h3-10,12H,11H2,1-2H3
InChIKeyVMVZBJLTKPYXFN-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.87
Rot. Bonds5

About N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide

N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 2372906) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
PubChem CID2372906
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(-c3nnco3)cc2)cc1
InChIInChI=1S/C17H17N3O3S/c1-13-3-9-16(10-4-13)24(21,22)20(2)11-14-5-7-15(8-6-14)17-19-18-12-23-17/h3-10,12H,11H2,1-2H3
InChIKeyVMVZBJLTKPYXFN-UHFFFAOYSA-N
XLogP2.87
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.87
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,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 655511
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-(4-Phenylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526888
4-[5-(2,4-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526894
N,N-Diethyl-4-[5-(5-p-tolyl-[1,3,4]oxadiazol-2-ylmethylsulfanyl)-[1,3,4]oxadiazol-2-yl]-benzenesulfonamide
CID 647628
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
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 5158895

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide (CID 2372906) is N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2ccc(-c3nnco3)cc2)cc1.
What is the InChIKey of N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is VMVZBJLTKPYXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-13-3-9-16(10-4-13)24(21,22)20(2)11-14-5-7-15(8-6-14)17-19-18-12-23-17/h3-10,12H,11H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide?
N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 2372906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).