4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

C22H25Cl2N3O4S — CID 46655382

IUPAC4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESC=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NC(C)C(=O)NCCC)ccc1Cl
InChIInChI=1S/C22H25Cl2N3O4S/c1-4-12-25-21(28)15(3)26-22(29)16-6-11-19(24)20(14-16)32(30,31)27(13-5-2)18-9-7-17(23)8-10-18/h5-11,14-15H,2,4,12-13H2,1,3H3,(H,25,28)(H,26,29)
InChIKeySCUCKVKGPBZCRH-UHFFFAOYSA-N
MW498.43 g/mol
LogP4.02
Rot. Bonds10

About 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 46655382) has the molecular formula C22H25Cl2N3O4S and a molecular weight of 498.43 g/mol. Its IUPAC name is 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID46655382
Molecular FormulaC22H25Cl2N3O4S
Molecular Weight498.43 g/mol
Exact Mass497.09
IUPAC Name4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESC=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NC(C)C(=O)NCCC)ccc1Cl
InChIInChI=1S/C22H25Cl2N3O4S/c1-4-12-25-21(28)15(3)26-22(29)16-6-11-19(24)20(14-16)32(30,31)27(13-5-2)18-9-7-17(23)8-10-18/h5-11,14-15H,2,4,12-13H2,1,3H3,(H,25,28)(H,26,29)
InChIKeySCUCKVKGPBZCRH-UHFFFAOYSA-N
XLogP4.02
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 4262139
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide
CID 32736718
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 46810520
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 55948031
[(1R)-1-cyanoethyl] 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2617618
5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 26591753
4-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8733033
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 4857026
4-chloro-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7581832
4-chloro-N-(2-chlorophenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26575051
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16552544
4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide
CID 8751734

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 46655382) is 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NC(C)C(=O)NCCC)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is SCUCKVKGPBZCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O4S/c1-4-12-25-21(28)15(3)26-22(29)16-6-11-19(24)20(14-16)32(30,31)27(13-5-2)18-9-7-17(23)8-10-18/h5-11,14-15H,2,4,12-13H2,1,3H3,(H,25,28)(H,26,29).
What are the key properties of 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 498.43 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 46655382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).