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

C16H15N3O3S — CID 891540

IUPACN,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H15N3O3S/c1-19(2)23(20,21)14-10-6-9-13(11-14)16-18-17-15(22-16)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyDXJUCZSIXSAJPN-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.65
Rot. Bonds4

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

N,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 891540) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID891540
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H15N3O3S/c1-19(2)23(20,21)14-10-6-9-13(11-14)16-18-17-15(22-16)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyDXJUCZSIXSAJPN-UHFFFAOYSA-N
XLogP2.65
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 891540) is N,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of N,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is DXJUCZSIXSAJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-19(2)23(20,21)14-10-6-9-13(11-14)16-18-17-15(22-16)12-7-4-3-5-8-12/h3-11H,1-2H3.
What are the key properties of N,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
N,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 891540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).