3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide

C15H19N3O3S — CID 126809949

IUPAC3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2nnc(C3CC3(C)C)o2)c1
InChIInChI=1S/C15H19N3O3S/c1-15(2)9-12(15)14-17-16-13(21-14)10-6-5-7-11(8-10)22(19,20)18(3)4/h5-8,12H,9H2,1-4H3
InChIKeyQMCNRMNDJKGGMQ-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.50
Rot. Bonds4

About 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide

3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 126809949) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID126809949
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2nnc(C3CC3(C)C)o2)c1
InChIInChI=1S/C15H19N3O3S/c1-15(2)9-12(15)14-17-16-13(21-14)10-6-5-7-11(8-10)22(19,20)18(3)4/h5-8,12H,9H2,1-4H3
InChIKeyQMCNRMNDJKGGMQ-UHFFFAOYSA-N
XLogP2.50
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethylazulene-5-sulfonamide
CID 67469153
N,N-diethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 13409705
3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide
CID 13203487
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide
CID 43977266
N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide
CID 167119396
4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854704
N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162688
5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine
CID 167851989
N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 41227508
2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 95618341
(E)-3-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81252348
2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 53098036

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide (CID 126809949) is 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(-c2nnc(C3CC3(C)C)o2)c1.
What is the InChIKey of 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is QMCNRMNDJKGGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-15(2)9-12(15)14-17-16-13(21-14)10-6-5-7-11(8-10)22(19,20)18(3)4/h5-8,12H,9H2,1-4H3.
What are the key properties of 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide?
3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 126809949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).