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

C15H11Cl2N5O3S — CID 2380796

IUPAC4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H11Cl2N5O3S/c16-10-2-4-11(5-3-10)22-26(24,25)13-7-9(1-6-12(13)17)14(23)20-15-18-8-19-21-15/h1-8,22H,(H2,18,19,20,21,23)
InChIKeyKKALNLMXTMFBQI-UHFFFAOYSA-N
MW412.26 g/mol
LogP3.16
Rot. Bonds5

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

4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 2380796) has the molecular formula C15H11Cl2N5O3S and a molecular weight of 412.26 g/mol. Its IUPAC name is 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID2380796
Molecular FormulaC15H11Cl2N5O3S
Molecular Weight412.26 g/mol
Exact Mass411.00
IUPAC Name4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H11Cl2N5O3S/c16-10-2-4-11(5-3-10)22-26(24,25)13-7-9(1-6-12(13)17)14(23)20-15-18-8-19-21-15/h1-8,22H,(H2,18,19,20,21,23)
InChIKeyKKALNLMXTMFBQI-UHFFFAOYSA-N
XLogP3.16
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.26
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 2342892
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 78838843
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide
CID 2909414
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55959975
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 5006992
4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2334782
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
4-[(3-nitrophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3662701
4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 2380796) is 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is KKALNLMXTMFBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O3S/c16-10-2-4-11(5-3-10)22-26(24,25)13-7-9(1-6-12(13)17)14(23)20-15-18-8-19-21-15/h1-8,22H,(H2,18,19,20,21,23).
What are the key properties of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 412.26 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 2380796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).