N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide

C22H19N3O3S — CID 18660521

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ccccn3)cc2)c1C
InChIInChI=1S/C22H19N3O3S/c1-15-16(2)24-28-22(15)25-29(26,27)21-9-4-3-7-19(21)17-10-12-18(13-11-17)20-8-5-6-14-23-20/h3-14,25H,1-2H3
InChIKeyDGNMDJFSXFSHGR-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.82
Rot. Bonds5

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide (PubChem CID 18660521) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide
PubChem CID18660521
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ccccn3)cc2)c1C
InChIInChI=1S/C22H19N3O3S/c1-15-16(2)24-28-22(15)25-29(26,27)21-9-4-3-7-19(21)17-10-12-18(13-11-17)20-8-5-6-14-23-20/h3-14,25H,1-2H3
InChIKeyDGNMDJFSXFSHGR-UHFFFAOYSA-N
XLogP4.82
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide (CID 18660521) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ccccn3)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide?
The InChIKey is DGNMDJFSXFSHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-15-16(2)24-28-22(15)25-29(26,27)21-9-4-3-7-19(21)17-10-12-18(13-11-17)20-8-5-6-14-23-20/h3-14,25H,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 18660521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).