2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide

C23H23ClN2O4S — CID 26119216

IUPAC2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-16-4-6-17(7-5-16)15-25-23(27)21-14-20(12-13-22(21)24)31(28,29)26(2)18-8-10-19(30-3)11-9-18/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyAUWCKEUOZYDEME-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.41
Rot. Bonds7

About 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide

2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 26119216) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID26119216
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-16-4-6-17(7-5-16)15-25-23(27)21-14-20(12-13-22(21)24)31(28,29)26(2)18-8-10-19(30-3)11-9-18/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyAUWCKEUOZYDEME-UHFFFAOYSA-N
XLogP4.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2435577
methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 2334810
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 34315456
2-chloro-N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 27256751
N-benzyl-2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 17446439
N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
CID 4132778
N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55615012
2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 16551413
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
CID 24514466
2-chloro-N-(1-cyclopropylethyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17473386
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 112775706

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide (CID 26119216) is 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc(C)cc3)c2)cc1.
What is the InChIKey of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is AUWCKEUOZYDEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-16-4-6-17(7-5-16)15-25-23(27)21-14-20(12-13-22(21)24)31(28,29)26(2)18-8-10-19(30-3)11-9-18/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide?
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 458.97 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 26119216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).