N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide

C20H19ClN2O4S — CID 2566505

IUPACN-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H19ClN2O4S/c1-23(14-15-4-8-17(21)9-5-15)20(24)16-6-10-19(11-7-16)28(25,26)22-13-18-3-2-12-27-18/h2-12,22H,13-14H2,1H3
InChIKeyPBSZVHHQGJIKLS-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.68
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide

N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide (PubChem CID 2566505) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
PubChem CID2566505
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H19ClN2O4S/c1-23(14-15-4-8-17(21)9-5-15)20(24)16-6-10-19(11-7-16)28(25,26)22-13-18-3-2-12-27-18/h2-12,22H,13-14H2,1H3
InChIKeyPBSZVHHQGJIKLS-UHFFFAOYSA-N
XLogP3.68
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide (CID 2566505) is N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide is CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide?
The InChIKey is PBSZVHHQGJIKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c1-23(14-15-4-8-17(21)9-5-15)20(24)16-6-10-19(11-7-16)28(25,26)22-13-18-3-2-12-27-18/h2-12,22H,13-14H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide?
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide has a molecular weight of 418.90 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 2566505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).