3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide

C15H13N3O3S — CID 53009757

IUPAC3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2nnc(-c3cccc(S(N)(=O)=O)c3)o2)cc1
InChIInChI=1S/C15H13N3O3S/c1-10-5-7-11(8-6-10)14-17-18-15(21-14)12-3-2-4-13(9-12)22(16,19)20/h2-9H,1H3,(H2,16,19,20)
InChIKeySFMYKNRIEVNGGV-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.36
Rot. Bonds3

About 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide

3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 53009757) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID53009757
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2nnc(-c3cccc(S(N)(=O)=O)c3)o2)cc1
InChIInChI=1S/C15H13N3O3S/c1-10-5-7-11(8-6-10)14-17-18-15(21-14)12-3-2-4-13(9-12)22(16,19)20/h2-9H,1H3,(H2,16,19,20)
InChIKeySFMYKNRIEVNGGV-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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Related Compounds

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
2-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259997
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole
CID 17227
2-Phenyl-5-(phenylthio)-1,3,4-oxadiazole
CID 15323569
2-(Benzenesulfonylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 22432641
N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 655511
N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 1037259
Methyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl sulfide
CID 1484133
N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 2372906
4-(5-Naphthalen-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526870
4-[5-(2-Phenylethyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526874
4-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526878

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 53009757) is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is Cc1ccc(-c2nnc(-c3cccc(S(N)(=O)=O)c3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is SFMYKNRIEVNGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-10-5-7-11(8-6-10)14-17-18-15(21-14)12-3-2-4-13(9-12)22(16,19)20/h2-9H,1H3,(H2,16,19,20).
What are the key properties of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
3-[5-(4-methylphenyl)-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 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 53009757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).