4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide

C22H19Cl2FN2O3S — CID 53287059

IUPAC4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2F)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H19Cl2FN2O3S/c1-31(29,30)27(20-11-18(23)10-19(24)12-20)14-15-6-8-16(9-7-15)22(28)26-13-17-4-2-3-5-21(17)25/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyMTCPBBFXNJNEKV-UHFFFAOYSA-N
MW481.38 g/mol
LogP5.03
Rot. Bonds7

About 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide

4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 53287059) has the molecular formula C22H19Cl2FN2O3S and a molecular weight of 481.38 g/mol. Its IUPAC name is 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID53287059
Molecular FormulaC22H19Cl2FN2O3S
Molecular Weight481.38 g/mol
Exact Mass480.05
IUPAC Name4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2F)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H19Cl2FN2O3S/c1-31(29,30)27(20-11-18(23)10-19(24)12-20)14-15-6-8-16(9-7-15)22(28)26-13-17-4-2-3-5-21(17)25/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyMTCPBBFXNJNEKV-UHFFFAOYSA-N
XLogP5.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53287117
N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide
CID 53287248
N-[(2-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1210619
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 53287315
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 1117135
4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide
CID 1295557
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53283286
N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 1107896
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287344
4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287397
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767762
N-[[4-(dimethylamino)phenyl]methyl]-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide
CID 53287203

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide (CID 53287059) is 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide is CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2F)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is MTCPBBFXNJNEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2FN2O3S/c1-31(29,30)27(20-11-18(23)10-19(24)12-20)14-15-6-8-16(9-7-15)22(28)26-13-17-4-2-3-5-21(17)25/h2-12H,13-14H2,1H3,(H,26,28).
What are the key properties of 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide?
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 481.38 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 53287059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).