4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide

C21H19ClN2O3S — CID 126414386

IUPAC4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-15-7-9-16(10-8-15)14-23-21(25)17-11-12-19(22)20(13-17)28(26,27)24-18-5-3-2-4-6-18/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyKQYAMOXBFISUHC-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.38
Rot. Bonds6

About 4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide

4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide (PubChem CID 126414386) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
PubChem CID126414386
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-15-7-9-16(10-8-15)14-23-21(25)17-11-12-19(22)20(13-17)28(26,27)24-18-5-3-2-4-6-18/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyKQYAMOXBFISUHC-UHFFFAOYSA-N
XLogP4.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767221
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide
CID 133229135
N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 46764508
4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 99949871
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92671439
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 1263190
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26447378
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 5006992

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide (CID 126414386) is 4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide is Cc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of 4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide?
The InChIKey is KQYAMOXBFISUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-15-7-9-16(10-8-15)14-23-21(25)17-11-12-19(22)20(13-17)28(26,27)24-18-5-3-2-4-6-18/h2-13,24H,14H2,1H3,(H,23,25).
What are the key properties of 4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide?
4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide has a molecular weight of 414.91 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 126414386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).