N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide

C22H19Cl3N2O3S — CID 53287248

IUPACN-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H19Cl3N2O3S/c1-31(29,30)27(21-11-19(24)10-20(25)12-21)14-16-2-6-17(7-3-16)22(28)26-13-15-4-8-18(23)9-5-15/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyXAQJRFZYCNYEDI-UHFFFAOYSA-N
MW497.83 g/mol
LogP5.54
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide

N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide (PubChem CID 53287248) has the molecular formula C22H19Cl3N2O3S and a molecular weight of 497.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide
PubChem CID53287248
Molecular FormulaC22H19Cl3N2O3S
Molecular Weight497.83 g/mol
Exact Mass496.02
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H19Cl3N2O3S/c1-31(29,30)27(21-11-19(24)10-20(25)12-21)14-16-2-6-17(7-3-16)22(28)26-13-15-4-8-18(23)9-5-15/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyXAQJRFZYCNYEDI-UHFFFAOYSA-N
XLogP5.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.83
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 1107896
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53287059
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 53287315
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 30391343
N-[(2-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1210619
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287344
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 1117135
N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53287117
4-[(N-methylsulfonylanilino)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767156
4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 100500514
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 100571850

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide (CID 53287248) is N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide is CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is XAQJRFZYCNYEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N2O3S/c1-31(29,30)27(21-11-19(24)10-20(25)12-21)14-16-2-6-17(7-3-16)22(28)26-13-15-4-8-18(23)9-5-15/h2-12H,13-14H2,1H3,(H,26,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide?
N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 497.83 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 53287248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).