2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide

C23H20ClN5O4S — CID 55581937

IUPAC2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3-n3cncn3)c2)cc1
InChIInChI=1S/C23H20ClN5O4S/c1-28(16-7-9-17(33-2)10-8-16)34(31,32)18-11-12-20(24)19(13-18)23(30)27-21-5-3-4-6-22(21)29-15-25-14-26-29/h3-15H,1-2H3,(H,27,30)
InChIKeyZCQFHCHWDXBMCS-UHFFFAOYSA-N
MW497.96 g/mol
LogP4.01
Rot. Bonds7

About 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide

2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 55581937) has the molecular formula C23H20ClN5O4S and a molecular weight of 497.96 g/mol. Its IUPAC name is 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID55581937
Molecular FormulaC23H20ClN5O4S
Molecular Weight497.96 g/mol
Exact Mass497.09
IUPAC Name2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3-n3cncn3)c2)cc1
InChIInChI=1S/C23H20ClN5O4S/c1-28(16-7-9-17(33-2)10-8-16)34(31,32)18-11-12-20(24)19(13-18)23(30)27-21-5-3-4-6-22(21)29-15-25-14-26-29/h3-15H,1-2H3,(H,27,30)
InChIKeyZCQFHCHWDXBMCS-UHFFFAOYSA-N
XLogP4.01
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.96
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]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

2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 16551413
5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573291
2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 2709372
N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55435213
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
CID 4132778
2-[(2,5-dichlorobenzoyl)amino]-5-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]benzoic acid
CID 44513543
N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265291
2-chloro-N-(1-cyclopropylethyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17473386
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26119216
2-bromo-5-pyrrolidin-1-ylsulfonyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573617
methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate
CID 30804474
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2435577

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 55581937) is 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3-n3cncn3)c2)cc1.
What is the InChIKey of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is ZCQFHCHWDXBMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O4S/c1-28(16-7-9-17(33-2)10-8-16)34(31,32)18-11-12-20(24)19(13-18)23(30)27-21-5-3-4-6-22(21)29-15-25-14-26-29/h3-15H,1-2H3,(H,27,30).
What are the key properties of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 497.96 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55581937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).