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

C19H21N3O3S — CID 1107095

IUPACN,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(-c2nnc(-c3ccc(C)cc3)o2)c1
InChIInChI=1S/C19H21N3O3S/c1-4-22(5-2)26(23,24)17-8-6-7-16(13-17)19-21-20-18(25-19)15-11-9-14(3)10-12-15/h6-13H,4-5H2,1-3H3
InChIKeyRIYHRILGLXEARH-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.74
Rot. Bonds6

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

N,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 1107095) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID1107095
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(-c2nnc(-c3ccc(C)cc3)o2)c1
InChIInChI=1S/C19H21N3O3S/c1-4-22(5-2)26(23,24)17-8-6-7-16(13-17)19-21-20-18(25-19)15-11-9-14(3)10-12-15/h6-13H,4-5H2,1-3H3
InChIKeyRIYHRILGLXEARH-UHFFFAOYSA-N
XLogP3.74
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 1107095) is N,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(-c2nnc(-c3ccc(C)cc3)o2)c1.
What is the InChIKey of N,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is RIYHRILGLXEARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-22(5-2)26(23,24)17-8-6-7-16(13-17)19-21-20-18(25-19)15-11-9-14(3)10-12-15/h6-13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
N,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 1107095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).