4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide

C19H19Cl2N5O3S — CID 60514755

IUPAC4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)ccc1Cl
InChIInChI=1S/C19H19Cl2N5O3S/c1-3-26(4-2)30(28,29)16-11-12(9-10-15(16)21)18(27)23-19-22-17(24-25-19)13-7-5-6-8-14(13)20/h5-11H,3-4H2,1-2H3,(H2,22,23,24,25,27)
InChIKeyFMBAIVTYPZNBPE-UHFFFAOYSA-N
MW468.37 g/mol
LogP4.06
Rot. Bonds7

About 4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide

4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide (PubChem CID 60514755) has the molecular formula C19H19Cl2N5O3S and a molecular weight of 468.37 g/mol. Its IUPAC name is 4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide
PubChem CID60514755
Molecular FormulaC19H19Cl2N5O3S
Molecular Weight468.37 g/mol
Exact Mass467.06
IUPAC Name4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)ccc1Cl
InChIInChI=1S/C19H19Cl2N5O3S/c1-3-26(4-2)30(28,29)16-11-12(9-10-15(16)21)18(27)23-19-22-17(24-25-19)13-7-5-6-8-14(13)20/h5-11H,3-4H2,1-2H3,(H2,22,23,24,25,27)
InChIKeyFMBAIVTYPZNBPE-UHFFFAOYSA-N
XLogP4.06
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide (CID 60514755) is 4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide?
The InChIKey is FMBAIVTYPZNBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O3S/c1-3-26(4-2)30(28,29)16-11-12(9-10-15(16)21)18(27)23-19-22-17(24-25-19)13-7-5-6-8-14(13)20/h5-11H,3-4H2,1-2H3,(H2,22,23,24,25,27).
What are the key properties of 4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide?
4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide has a molecular weight of 468.37 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 60514755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).