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

C22H19N3O3S — CID 19085510

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-3-ylphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cccnc3)cc2)c1C
InChIInChI=1S/C22H19N3O3S/c1-15-16(2)24-28-22(15)25-29(26,27)21-8-4-3-7-20(21)18-11-9-17(10-12-18)19-6-5-13-23-14-19/h3-14,25H,1-2H3
InChIKeyDUTMOISDZUUDON-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.82
Rot. Bonds5

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-3-ylphenyl)benzenesulfonamide (PubChem CID 19085510) 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-3-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-3-ylphenyl)benzenesulfonamide
PubChem CID19085510
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-3-ylphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cccnc3)cc2)c1C
InChIInChI=1S/C22H19N3O3S/c1-15-16(2)24-28-22(15)25-29(26,27)21-8-4-3-7-20(21)18-11-9-17(10-12-18)19-6-5-13-23-14-19/h3-14,25H,1-2H3
InChIKeyDUTMOISDZUUDON-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-3-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-3-ylphenyl)benzenesulfonamide (CID 19085510) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-3-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-3-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-3-ylphenyl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cccnc3)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-3-ylphenyl)benzenesulfonamide?
The InChIKey is DUTMOISDZUUDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-15-16(2)24-28-22(15)25-29(26,27)21-8-4-3-7-20(21)18-11-9-17(10-12-18)19-6-5-13-23-14-19/h3-14,25H,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-3-ylphenyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyridin-3-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-3-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 19085510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).