4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C22H20ClN3O3S — CID 35029142

IUPAC4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccn2)ccc1Cl
InChIInChI=1S/C22H20ClN3O3S/c1-3-13-26(18-7-5-4-6-8-18)30(28,29)20-15-17(9-10-19(20)23)22(27)25-21-14-16(2)11-12-24-21/h3-12,14-15H,1,13H2,2H3,(H,24,25,27)
InChIKeyXILPOVSYMWTAJY-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.68
Rot. Bonds7

About 4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 35029142) has the molecular formula C22H20ClN3O3S and a molecular weight of 441.94 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID35029142
Molecular FormulaC22H20ClN3O3S
Molecular Weight441.94 g/mol
Exact Mass441.09
IUPAC Name4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccn2)ccc1Cl
InChIInChI=1S/C22H20ClN3O3S/c1-3-13-26(18-7-5-4-6-8-18)30(28,29)20-15-17(9-10-19(20)23)22(27)25-21-14-16(2)11-12-24-21/h3-12,14-15H,1,13H2,2H3,(H,24,25,27)
InChIKeyXILPOVSYMWTAJY-UHFFFAOYSA-N
XLogP4.68
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
CID 52754440
4-chloro-N-(2-chlorophenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26575051
5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 26591753
2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 26533725
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-oxopropyl 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 42970176
4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide
CID 2448420
4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 55642713
4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 4851066
3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide
CID 35344934
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 4857026

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 35029142) is 4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccn2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is XILPOVSYMWTAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3S/c1-3-13-26(18-7-5-4-6-8-18)30(28,29)20-15-17(9-10-19(20)23)22(27)25-21-14-16(2)11-12-24-21/h3-12,14-15H,1,13H2,2H3,(H,24,25,27).
What are the key properties of 4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 441.94 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 35029142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).