N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide

C23H20Cl2N2O3S — CID 3277354

IUPACN-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
SMILESC=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H20Cl2N2O3S/c1-2-14-27(19-10-8-18(24)9-11-19)31(29,30)20-12-13-22(25)21(15-20)23(28)26-16-17-6-4-3-5-7-17/h2-13,15H,1,14,16H2,(H,26,28)
InChIKeyJUVVKCGUMIJRPR-UHFFFAOYSA-N
MW475.40 g/mol
LogP5.30
Rot. Bonds8

About N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide

N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide (PubChem CID 3277354) has the molecular formula C23H20Cl2N2O3S and a molecular weight of 475.40 g/mol. Its IUPAC name is N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
PubChem CID3277354
Molecular FormulaC23H20Cl2N2O3S
Molecular Weight475.40 g/mol
Exact Mass474.06
IUPAC NameN-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
SMILESC=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H20Cl2N2O3S/c1-2-14-27(19-10-8-18(24)9-11-19)31(29,30)20-12-13-22(25)21(15-20)23(28)26-16-17-6-4-3-5-7-17/h2-13,15H,1,14,16H2,(H,26,28)
InChIKeyJUVVKCGUMIJRPR-UHFFFAOYSA-N
XLogP5.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.40
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
The IUPAC name of N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide (CID 3277354) is N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide.
What is the SMILES notation for N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
The canonical SMILES for N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide is C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
The InChIKey is JUVVKCGUMIJRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3S/c1-2-14-27(19-10-8-18(24)9-11-19)31(29,30)20-12-13-22(25)21(15-20)23(28)26-16-17-6-4-3-5-7-17/h2-13,15H,1,14,16H2,(H,26,28).
What are the key properties of N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide has a molecular weight of 475.40 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide is sourced from PubChem (CID 3277354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).