3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide

C14H19N3O3S — CID 110368347

IUPAC3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nnc(C(C)C)o2)cc1C
InChIInChI=1S/C14H19N3O3S/c1-9(2)14-17-16-13(20-14)8-15-21(18,19)12-6-5-10(3)11(4)7-12/h5-7,9,15H,8H2,1-4H3
InChIKeyJXDWBBVJIGPLFA-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.29
Rot. Bonds5

About 3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide

3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110368347) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110368347
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nnc(C(C)C)o2)cc1C
InChIInChI=1S/C14H19N3O3S/c1-9(2)14-17-16-13(20-14)8-15-21(18,19)12-6-5-10(3)11(4)7-12/h5-7,9,15H,8H2,1-4H3
InChIKeyJXDWBBVJIGPLFA-UHFFFAOYSA-N
XLogP2.29
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-methoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110368371
N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110368571
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
4-fluoro-3-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 9188282
3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
CID 110870999
3,4-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322874
2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110368567
3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320875
3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870212
5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110368533
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321008
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321583

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (CID 110368347) is 3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nnc(C(C)C)o2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is JXDWBBVJIGPLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9(2)14-17-16-13(20-14)8-15-21(18,19)12-6-5-10(3)11(4)7-12/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110368347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).