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

C20H18Cl2N2O4S — CID 53287315

IUPAC4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccco2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H18Cl2N2O4S/c1-29(26,27)24(18-10-16(21)9-17(22)11-18)13-14-4-6-15(7-5-14)20(25)23-12-19-3-2-8-28-19/h2-11H,12-13H2,1H3,(H,23,25)
InChIKeyRJVMKQNNTUTZJK-UHFFFAOYSA-N
MW453.35 g/mol
LogP4.48
Rot. Bonds7

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

4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 53287315) has the molecular formula C20H18Cl2N2O4S and a molecular weight of 453.35 g/mol. Its IUPAC name is 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID53287315
Molecular FormulaC20H18Cl2N2O4S
Molecular Weight453.35 g/mol
Exact Mass452.04
IUPAC Name4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccco2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H18Cl2N2O4S/c1-29(26,27)24(18-10-16(21)9-17(22)11-18)13-14-4-6-15(7-5-14)20(25)23-12-19-3-2-8-28-19/h2-11H,12-13H2,1H3,(H,23,25)
InChIKeyRJVMKQNNTUTZJK-UHFFFAOYSA-N
XLogP4.48
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1107707
N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide
CID 53287248
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53287059
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 30129755
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
N-[(2-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1210619
N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 1107896
5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 50810462
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 2222335
N-(furan-2-ylmethyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 50947122
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 30391343
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 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide (CID 53287315) is 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide is CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccco2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is RJVMKQNNTUTZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O4S/c1-29(26,27)24(18-10-16(21)9-17(22)11-18)13-14-4-6-15(7-5-14)20(25)23-12-19-3-2-8-28-19/h2-11H,12-13H2,1H3,(H,23,25).
What are the key properties of 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide?
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 453.35 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 53287315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).