2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide

C14H8Cl3N3O3S — CID 90644500

IUPAC2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)c(Cl)cc1Cl
InChIInChI=1S/C14H8Cl3N3O3S/c15-8-3-1-7(2-4-8)13-19-20-14(23-13)9-5-12(24(18,21)22)11(17)6-10(9)16/h1-6H,(H2,18,21,22)
InChIKeyNFESGNOLEXZHKX-UHFFFAOYSA-N
MW404.66 g/mol
LogP4.01
Rot. Bonds3

About 2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide

2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 90644500) has the molecular formula C14H8Cl3N3O3S and a molecular weight of 404.66 g/mol. Its IUPAC name is 2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID90644500
Molecular FormulaC14H8Cl3N3O3S
Molecular Weight404.66 g/mol
Exact Mass402.94
IUPAC Name2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)c(Cl)cc1Cl
InChIInChI=1S/C14H8Cl3N3O3S/c15-8-3-1-7(2-4-8)13-19-20-14(23-13)9-5-12(24(18,21)22)11(17)6-10(9)16/h1-6H,(H2,18,21,22)
InChIKeyNFESGNOLEXZHKX-UHFFFAOYSA-N
XLogP4.01
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.66
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 90644500) is 2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is NFESGNOLEXZHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3O3S/c15-8-3-1-7(2-4-8)13-19-20-14(23-13)9-5-12(24(18,21)22)11(17)6-10(9)16/h1-6H,(H2,18,21,22).
What are the key properties of 2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide has a molecular weight of 404.66 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 90644500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).