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

C14H9Cl2N3O3S — CID 155530502

IUPAC4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2noc(-c3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C14H9Cl2N3O3S/c15-11-6-3-9(7-12(11)16)14-18-13(19-22-14)8-1-4-10(5-2-8)23(17,20)21/h1-7H,(H2,17,20,21)
InChIKeyDWDAPLPOAPTGJA-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.36
Rot. Bonds3

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

4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 155530502) has the molecular formula C14H9Cl2N3O3S and a molecular weight of 370.22 g/mol. Its IUPAC name is 4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID155530502
Molecular FormulaC14H9Cl2N3O3S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Name4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2noc(-c3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C14H9Cl2N3O3S/c15-11-6-3-9(7-12(11)16)14-18-13(19-22-14)8-1-4-10(5-2-8)23(17,20)21/h1-7H,(H2,17,20,21)
InChIKeyDWDAPLPOAPTGJA-UHFFFAOYSA-N
XLogP3.36
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
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-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 155530502) is 4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2noc(-c3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of 4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is DWDAPLPOAPTGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3S/c15-11-6-3-9(7-12(11)16)14-18-13(19-22-14)8-1-4-10(5-2-8)23(17,20)21/h1-7H,(H2,17,20,21).
What are the key properties of 4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 370.22 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 155530502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).