N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide

C18H19N3O3S — CID 46365724

IUPACN-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(-c3noc(C)n3)ccc2C)c1
InChIInChI=1S/C18H19N3O3S/c1-11-7-12(2)9-16(8-11)21-25(22,23)17-10-15(6-5-13(17)3)18-19-14(4)24-20-18/h5-10,21H,1-4H3
InChIKeySXHJDJGNQOZKCG-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.77
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide

N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (PubChem CID 46365724) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
PubChem CID46365724
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(-c3noc(C)n3)ccc2C)c1
InChIInChI=1S/C18H19N3O3S/c1-11-7-12(2)9-16(8-11)21-25(22,23)17-10-15(6-5-13(17)3)18-19-14(4)24-20-18/h5-10,21H,1-4H3
InChIKeySXHJDJGNQOZKCG-UHFFFAOYSA-N
XLogP3.77
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 46365695
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide
CID 53042694
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 53205187
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46365752
N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365775
N-(3-chloro-4-methylphenyl)-2-methyl-5-[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53205011
(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 92880630
3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzoate
CID 6957575
2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 124807841
N-(2-chloro-4-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53204920
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
CID 53205151
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 53054290

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (CID 46365724) is N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2cc(-c3noc(C)n3)ccc2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The InChIKey is SXHJDJGNQOZKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11-7-12(2)9-16(8-11)21-25(22,23)17-10-15(6-5-13(17)3)18-19-14(4)24-20-18/h5-10,21H,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 46365724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).