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

C16H14ClN3O3S — CID 53098111

IUPAC4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H14ClN3O3S/c1-2-18-24(21,22)12-8-9-14(17)13(10-12)16-20-19-15(23-16)11-6-4-3-5-7-11/h3-10,18H,2H2,1H3
InChIKeyWLZHIJIESHGEPC-UHFFFAOYSA-N
MW363.83 g/mol
LogP3.36
Rot. Bonds5

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

4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 53098111) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID53098111
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H14ClN3O3S/c1-2-18-24(21,22)12-8-9-14(17)13(10-12)16-20-19-15(23-16)11-6-4-3-5-7-11/h3-10,18H,2H2,1H3
InChIKeyWLZHIJIESHGEPC-UHFFFAOYSA-N
XLogP3.36
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 53098111) is 4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is WLZHIJIESHGEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-2-18-24(21,22)12-8-9-14(17)13(10-12)16-20-19-15(23-16)11-6-4-3-5-7-11/h3-10,18H,2H2,1H3.
What are the key properties of 4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 363.83 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 53098111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).