2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C15H15N3O4S — CID 20935766

IUPAC2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)Nc3cc(C)on3)c2)on1
InChIInChI=1S/C15H15N3O4S/c1-9-4-5-12(13-6-10(2)16-22-13)8-14(9)23(19,20)18-15-7-11(3)21-17-15/h4-8H,1-3H3,(H,17,18)
InChIKeyRDVFHUULBCNIRH-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.06
Rot. Bonds4

About 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 20935766) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID20935766
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)Nc3cc(C)on3)c2)on1
InChIInChI=1S/C15H15N3O4S/c1-9-4-5-12(13-6-10(2)16-22-13)8-14(9)23(19,20)18-15-7-11(3)21-17-15/h4-8H,1-3H3,(H,17,18)
InChIKeyRDVFHUULBCNIRH-UHFFFAOYSA-N
XLogP3.06
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 20935766) is 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3cc(C)on3)c2)on1.
What is the InChIKey of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is RDVFHUULBCNIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-9-4-5-12(13-6-10(2)16-22-13)8-14(9)23(19,20)18-15-7-11(3)21-17-15/h4-8H,1-3H3,(H,17,18).
What are the key properties of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 333.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 20935766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).