N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide

C22H19Cl2N3O4S2 — CID 4857026

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
SMILESC=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2nc(C)c(C(C)=O)s2)ccc1Cl
InChIInChI=1S/C22H19Cl2N3O4S2/c1-4-11-27(17-8-6-16(23)7-9-17)33(30,31)19-12-15(5-10-18(19)24)21(29)26-22-25-13(2)20(32-22)14(3)28/h4-10,12H,1,11H2,2-3H3,(H,25,26,29)
InChIKeyZLOIDVUMKNGRGC-UHFFFAOYSA-N
MW524.45 g/mol
LogP5.59
Rot. Bonds8

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide (PubChem CID 4857026) has the molecular formula C22H19Cl2N3O4S2 and a molecular weight of 524.45 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
PubChem CID4857026
Molecular FormulaC22H19Cl2N3O4S2
Molecular Weight524.45 g/mol
Exact Mass523.02
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
SMILESC=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2nc(C)c(C(C)=O)s2)ccc1Cl
InChIInChI=1S/C22H19Cl2N3O4S2/c1-4-11-27(17-8-6-16(23)7-9-17)33(30,31)19-12-15(5-10-18(19)24)21(29)26-22-25-13(2)20(32-22)14(3)28/h4-10,12H,1,11H2,2-3H3,(H,25,26,29)
InChIKeyZLOIDVUMKNGRGC-UHFFFAOYSA-N
XLogP5.59
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.45
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 4851066
4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 4262139
4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 35029142
5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 26591753
4-chloro-N-(2-chlorophenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26575051
4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46655382
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
CID 52754440
N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26253060
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide
CID 32736718
2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 26533725
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 46810520
3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 112791289

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide (CID 4857026) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide is C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2nc(C)c(C(C)=O)s2)ccc1Cl.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
The InChIKey is ZLOIDVUMKNGRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O4S2/c1-4-11-27(17-8-6-16(23)7-9-17)33(30,31)19-12-15(5-10-18(19)24)21(29)26-22-25-13(2)20(32-22)14(3)28/h4-10,12H,1,11H2,2-3H3,(H,25,26,29).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide has a molecular weight of 524.45 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide is sourced from PubChem (CID 4857026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).