2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C15H13N3O3S — CID 155529889

IUPAC2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C15H13N3O3S/c1-10-7-8-12(9-13(10)22(16,19)20)15-18-17-14(21-15)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,19,20)
InChIKeyTYYHCWPLTLATBG-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.36
Rot. Bonds3

About 2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 155529889) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID155529889
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C15H13N3O3S/c1-10-7-8-12(9-13(10)22(16,19)20)15-18-17-14(21-15)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,19,20)
InChIKeyTYYHCWPLTLATBG-UHFFFAOYSA-N
XLogP2.36
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 155529889) is 2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is TYYHCWPLTLATBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-10-7-8-12(9-13(10)22(16,19)20)15-18-17-14(21-15)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,19,20).
What are the key properties of 2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 155529889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).