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

C15H13N3O3S — CID 22583049

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3cccnc3)cc2)co1
InChIInChI=1S/C15H13N3O3S/c1-11-17-15(10-21-11)12-4-6-14(7-5-12)22(19,20)18-13-3-2-8-16-9-13/h2-10,18H,1H3
InChIKeyCYLMNXYLAFOINE-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.85
Rot. Bonds4

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

4-(2-methyl-1,3-oxazol-4-yl)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 22583049) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID22583049
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3cccnc3)cc2)co1
InChIInChI=1S/C15H13N3O3S/c1-11-17-15(10-21-11)12-4-6-14(7-5-12)22(19,20)18-13-3-2-8-16-9-13/h2-10,18H,1H3
InChIKeyCYLMNXYLAFOINE-UHFFFAOYSA-N
XLogP2.85
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.85
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-ylbenzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-pyridin-3-ylbenzenesulfonamide (CID 22583049) is 4-(2-methyl-1,3-oxazol-4-yl)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-pyridin-3-ylbenzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)Nc3cccnc3)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is CYLMNXYLAFOINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-11-17-15(10-21-11)12-4-6-14(7-5-12)22(19,20)18-13-3-2-8-16-9-13/h2-10,18H,1H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-pyridin-3-ylbenzenesulfonamide?
4-(2-methyl-1,3-oxazol-4-yl)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.85, 4 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-ylbenzenesulfonamide is sourced from PubChem (CID 22583049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).