2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide

C22H15Cl2N3O4S — CID 3638466

IUPAC2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)c2nnc(-c3ccc(Cl)cc3)o2)ccc1Cl
InChIInChI=1S/C22H15Cl2N3O4S/c1-27(17-5-3-2-4-6-17)32(29,30)19-13-15(9-12-18(19)24)20(28)22-26-25-21(31-22)14-7-10-16(23)11-8-14/h2-13H,1H3
InChIKeyJIFXINZSQQDSLI-UHFFFAOYSA-N
MW488.35 g/mol
LogP5.10
Rot. Bonds6

About 2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide

2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 3638466) has the molecular formula C22H15Cl2N3O4S and a molecular weight of 488.35 g/mol. Its IUPAC name is 2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
PubChem CID3638466
Molecular FormulaC22H15Cl2N3O4S
Molecular Weight488.35 g/mol
Exact Mass487.02
IUPAC Name2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)c2nnc(-c3ccc(Cl)cc3)o2)ccc1Cl
InChIInChI=1S/C22H15Cl2N3O4S/c1-27(17-5-3-2-4-6-17)32(29,30)19-13-15(9-12-18(19)24)20(28)22-26-25-21(31-22)14-7-10-16(23)11-8-14/h2-13H,1H3
InChIKeyJIFXINZSQQDSLI-UHFFFAOYSA-N
XLogP5.10
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.35
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate
CID 2668465
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16821748
2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 2460524
[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-carbonyl]phenyl]-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 141225959
methyl 3-[(2,5-dichlorophenyl)sulfonyl-methylamino]benzoate
CID 100509417
methyl (2R)-2-[[4-chloro-3-[methyl(phenyl)sulfamoyl]benzoyl]amino]-4-methylpentanoate
CID 25437819
2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide
CID 100507274
4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 3439145
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate
CID 4000797
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43978019
4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 32986710
2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 53098036

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide (CID 3638466) is 2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)c2nnc(-c3ccc(Cl)cc3)o2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is JIFXINZSQQDSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O4S/c1-27(17-5-3-2-4-6-17)32(29,30)19-13-15(9-12-18(19)24)20(28)22-26-25-21(31-22)14-7-10-16(23)11-8-14/h2-13H,1H3.
What are the key properties of 2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 488.35 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 3638466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).