2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide

C21H17Cl3N2O3S — CID 92682038

IUPAC2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C21H17Cl3N2O3S/c1-13-2-7-17(8-3-13)30(28,29)26-16-6-9-19(23)18(11-16)21(27)25-12-14-4-5-15(22)10-20(14)24/h2-11,26H,12H2,1H3,(H,25,27)
InChIKeyZYWUEYHIBLCMHZ-UHFFFAOYSA-N
MW483.80 g/mol
LogP5.69
Rot. Bonds6

About 2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide

2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 92682038) has the molecular formula C21H17Cl3N2O3S and a molecular weight of 483.80 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID92682038
Molecular FormulaC21H17Cl3N2O3S
Molecular Weight483.80 g/mol
Exact Mass482.00
IUPAC Name2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C21H17Cl3N2O3S/c1-13-2-7-17(8-3-13)30(28,29)26-16-6-9-19(23)18(11-16)21(27)25-12-14-4-5-15(22)10-20(14)24/h2-11,26H,12H2,1H3,(H,25,27)
InChIKeyZYWUEYHIBLCMHZ-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

2-chloro-N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772238
N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062771
2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92671640
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 4617955
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 92680117
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
CID 2446682
N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 4291684
2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 94027819

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide (CID 92682038) is 2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccc(Cl)cc3Cl)c2)cc1.
What is the InChIKey of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is ZYWUEYHIBLCMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O3S/c1-13-2-7-17(8-3-13)30(28,29)26-16-6-9-19(23)18(11-16)21(27)25-12-14-4-5-15(22)10-20(14)24/h2-11,26H,12H2,1H3,(H,25,27).
What are the key properties of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]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 2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 92682038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).