4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

C16H15N3O3S — CID 22583048

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCc3cccnc3)cc2)co1
InChIInChI=1S/C16H15N3O3S/c1-12-19-16(11-22-12)14-4-6-15(7-5-14)23(20,21)18-10-13-3-2-8-17-9-13/h2-9,11,18H,10H2,1H3
InChIKeyQGYUOAXCYASJGM-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.52
Rot. Bonds5

About 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 22583048) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID22583048
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCc3cccnc3)cc2)co1
InChIInChI=1S/C16H15N3O3S/c1-12-19-16(11-22-12)14-4-6-15(7-5-14)23(20,21)18-10-13-3-2-8-17-9-13/h2-9,11,18H,10H2,1H3
InChIKeyQGYUOAXCYASJGM-UHFFFAOYSA-N
XLogP2.52
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 22583048) is 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)NCc3cccnc3)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is QGYUOAXCYASJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-12-19-16(11-22-12)14-4-6-15(7-5-14)23(20,21)18-10-13-3-2-8-17-9-13/h2-9,11,18H,10H2,1H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 22583048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).