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

C21H17Cl3N2O3S — CID 3578493

IUPAC4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C21H17Cl3N2O3S/c1-13-4-2-3-5-19(13)26-30(28,29)20-10-14(7-9-17(20)23)21(27)25-12-15-6-8-16(22)11-18(15)24/h2-11,26H,12H2,1H3,(H,25,27)
InChIKeyYHXBLWNVOWWXJT-UHFFFAOYSA-N
MW483.80 g/mol
LogP5.69
Rot. Bonds6

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

4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 3578493) has the molecular formula C21H17Cl3N2O3S and a molecular weight of 483.80 g/mol. Its IUPAC name is 4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID3578493
Molecular FormulaC21H17Cl3N2O3S
Molecular Weight483.80 g/mol
Exact Mass482.00
IUPAC Name4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C21H17Cl3N2O3S/c1-13-4-2-3-5-19(13)26-30(28,29)20-10-14(7-9-17(20)23)21(27)25-12-15-6-8-16(22)11-18(15)24/h2-11,26H,12H2,1H3,(H,25,27)
InChIKeyYHXBLWNVOWWXJT-UHFFFAOYSA-N
XLogP5.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.80
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415166
N-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126413823
N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062771
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767219
4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4213074
4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 28568554
N-(2-benzylsulfanylethyl)-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4285885
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4234401
N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 5126188
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 126388612
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide (CID 3578493) is 4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is YHXBLWNVOWWXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O3S/c1-13-4-2-3-5-19(13)26-30(28,29)20-10-14(7-9-17(20)23)21(27)25-12-15-6-8-16(22)11-18(15)24/h2-11,26H,12H2,1H3,(H,25,27).
What are the key properties of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 483.80 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3578493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).