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

C15H13N3O3S — CID 2985780

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccccc2)no1)c1ccccc1
InChIInChI=1S/C15H13N3O3S/c19-22(20,13-9-5-2-6-10-13)16-11-14-17-15(18-21-14)12-7-3-1-4-8-12/h1-10,16H,11H2
InChIKeyIUYGRDYMVXAMPR-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.22
Rot. Bonds5

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

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 2985780) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID2985780
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccccc2)no1)c1ccccc1
InChIInChI=1S/C15H13N3O3S/c19-22(20,13-9-5-2-6-10-13)16-11-14-17-15(18-21-14)12-7-3-1-4-8-12/h1-10,16H,11H2
InChIKeyIUYGRDYMVXAMPR-UHFFFAOYSA-N
XLogP2.22
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (CID 2985780) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1nc(-c2ccccc2)no1)c1ccccc1.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is IUYGRDYMVXAMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-22(20,13-9-5-2-6-10-13)16-11-14-17-15(18-21-14)12-7-3-1-4-8-12/h1-10,16H,11H2.
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2985780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).