4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide

C21H19ClN2O3S — CID 4046422

IUPAC4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-6-5-8-17(12-14)23-21(25)16-10-11-18(22)20(13-16)28(26,27)24-19-9-4-3-7-15(19)2/h3-13,24H,1-2H3,(H,23,25)
InChIKeyUGZQFQMSJAVTCA-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.01
Rot. Bonds5

About 4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide

4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 4046422) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID4046422
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-6-5-8-17(12-14)23-21(25)16-10-11-18(22)20(13-16)28(26,27)24-19-9-4-3-7-15(19)2/h3-13,24H,1-2H3,(H,23,25)
InChIKeyUGZQFQMSJAVTCA-UHFFFAOYSA-N
XLogP5.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.91
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4213074
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 25247329
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 4846593
N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126414226
ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 142804944
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100503088
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
methyl 3-[[4-chloro-3-[(2-methylphenyl)sulfamoyl]benzoyl]amino]-4-methylbenzoate
CID 126412706

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide (CID 4046422) is 4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c1.
What is the InChIKey of 4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is UGZQFQMSJAVTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-6-5-8-17(12-14)23-21(25)16-10-11-18(22)20(13-16)28(26,27)24-19-9-4-3-7-15(19)2/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide?
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 414.91 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4046422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).