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

C23H22N4O3S — CID 90563136

IUPAC2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)c(C)c1
InChIInChI=1S/C23H22N4O3S/c1-15-12-16(2)22(17(3)13-15)31(28,29)27-20-7-5-4-6-19(20)14-21-25-23(26-30-21)18-8-10-24-11-9-18/h4-13,27H,14H2,1-3H3
InChIKeyADXDALIQFFHGLV-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.45
Rot. Bonds6

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

2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 90563136) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
PubChem CID90563136
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)c(C)c1
InChIInChI=1S/C23H22N4O3S/c1-15-12-16(2)22(17(3)13-15)31(28,29)27-20-7-5-4-6-19(20)14-21-25-23(26-30-21)18-8-10-24-11-9-18/h4-13,27H,14H2,1-3H3
InChIKeyADXDALIQFFHGLV-UHFFFAOYSA-N
XLogP4.45
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 90563531
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide
CID 90563140
N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide
CID 90563219
3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563166
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852
4-methyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562701
2,4,6-trimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 7680685
2,5-dimethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562714
2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 90562819
4-methyl-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332728
2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 71800533
4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562912

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide (CID 90563136) is 2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is ADXDALIQFFHGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-15-12-16(2)22(17(3)13-15)31(28,29)27-20-7-5-4-6-19(20)14-21-25-23(26-30-21)18-8-10-24-11-9-18/h4-13,27H,14H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide?
2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 90563136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).