3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide

C23H18Cl2N4O4S — CID 17354813

IUPAC3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H18Cl2N4O4S/c24-15-4-3-5-17(14-15)29-34(31,32)18-10-8-16(9-11-18)26-21(30)12-13-22-27-23(28-33-22)19-6-1-2-7-20(19)25/h1-11,14,29H,12-13H2,(H,26,30)
InChIKeyTZOXRRLEBFAAHN-UHFFFAOYSA-N
MW517.39 g/mol
LogP5.42
Rot. Bonds8

About 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide (PubChem CID 17354813) has the molecular formula C23H18Cl2N4O4S and a molecular weight of 517.39 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide
PubChem CID17354813
Molecular FormulaC23H18Cl2N4O4S
Molecular Weight517.39 g/mol
Exact Mass516.04
IUPAC Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H18Cl2N4O4S/c24-15-4-3-5-17(14-15)29-34(31,32)18-10-8-16(9-11-18)26-21(30)12-13-22-27-23(28-33-22)19-6-1-2-7-20(19)25/h1-11,14,29H,12-13H2,(H,26,30)
InChIKeyTZOXRRLEBFAAHN-UHFFFAOYSA-N
XLogP5.42
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.39
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 46263724
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
CID 17101530
N-(3-chloro-4-fluorophenyl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100757710
N-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide
CID 4975425
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354607
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354560
N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 137026775
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354653
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-difluorophenyl)propanamide
CID 100757698
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17354574
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide
CID 46969280
N-(3-chlorophenyl)-3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide (CID 17354813) is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide is O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is TZOXRRLEBFAAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O4S/c24-15-4-3-5-17(14-15)29-34(31,32)18-10-8-16(9-11-18)26-21(30)12-13-22-27-23(28-33-22)19-6-1-2-7-20(19)25/h1-11,14,29H,12-13H2,(H,26,30).
What are the key properties of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide?
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 517.39 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 17354813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).