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

C14H10ClN3O3S — CID 2739466

IUPAC4-chloro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnco2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O3S/c15-11-4-6-13(7-5-11)22(19,20)18-12-3-1-2-10(8-12)14-17-16-9-21-14/h1-9,18H
InChIKeyFALBQYVBTHVLOQ-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.19
Rot. Bonds4

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

4-chloro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 2739466) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is 4-chloro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
PubChem CID2739466
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC Name4-chloro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnco2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O3S/c15-11-4-6-13(7-5-11)22(19,20)18-12-3-1-2-10(8-12)14-17-16-9-21-14/h1-9,18H
InChIKeyFALBQYVBTHVLOQ-UHFFFAOYSA-N
XLogP3.19
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (CID 2739466) is 4-chloro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2nnco2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is FALBQYVBTHVLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c15-11-4-6-13(7-5-11)22(19,20)18-12-3-1-2-10(8-12)14-17-16-9-21-14/h1-9,18H.
What are the key properties of 4-chloro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
4-chloro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 335.77 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2739466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).