2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide

C18H19N3O3S — CID 110643728

IUPAC2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(-c3nc(C)no3)c2)c(C)c1
InChIInChI=1S/C18H19N3O3S/c1-11-8-12(2)17(13(3)9-11)25(22,23)21-16-7-5-6-15(10-16)18-19-14(4)20-24-18/h5-10,21H,1-4H3
InChIKeyANRSJKUORCTRQL-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.77
Rot. Bonds4

About 2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide

2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 110643728) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
PubChem CID110643728
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(-c3nc(C)no3)c2)c(C)c1
InChIInChI=1S/C18H19N3O3S/c1-11-8-12(2)17(13(3)9-11)25(22,23)21-16-7-5-6-15(10-16)18-19-14(4)20-24-18/h5-10,21H,1-4H3
InChIKeyANRSJKUORCTRQL-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

4-fluoro-3-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643729
3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418417
2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418422
5-chloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418448
4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643747
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,3-dihydro-1-benzoxepine-4-sulfonamide
CID 167896624
N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 110668633
N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 42737783
N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 779111
3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643674
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide
CID 110643697
2-methoxy-5-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643633

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide (CID 110643728) is 2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3nc(C)no3)c2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is ANRSJKUORCTRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11-8-12(2)17(13(3)9-11)25(22,23)21-16-7-5-6-15(10-16)18-19-14(4)20-24-18/h5-10,21H,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]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 2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110643728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).