5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide

C19H21N3O3S — CID 20936464

IUPAC5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)nc1
InChIInChI=1S/C19H21N3O3S/c1-12(2)16-7-6-15(17-9-14(4)21-25-17)10-18(16)26(23,24)22-19-8-5-13(3)11-20-19/h5-12H,1-4H3,(H,20,22)
InChIKeyHZFKQRBPKAZBKQ-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.28
Rot. Bonds5

About 5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide

5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide (PubChem CID 20936464) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide
PubChem CID20936464
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)nc1
InChIInChI=1S/C19H21N3O3S/c1-12(2)16-7-6-15(17-9-14(4)21-25-17)10-18(16)26(23,24)22-19-8-5-13(3)11-20-19/h5-12H,1-4H3,(H,20,22)
InChIKeyHZFKQRBPKAZBKQ-UHFFFAOYSA-N
XLogP4.28
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide (CID 20936464) is 5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)nc1.
What is the InChIKey of 5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide?
The InChIKey is HZFKQRBPKAZBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12(2)16-7-6-15(17-9-14(4)21-25-17)10-18(16)26(23,24)22-19-8-5-13(3)11-20-19/h5-12H,1-4H3,(H,20,22).
What are the key properties of 5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide?
5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 20936464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).