4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide

C24H22Cl2N2O3S — CID 2448420

IUPAC4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2C)ccc1Cl
InChIInChI=1S/C24H22Cl2N2O3S/c1-4-13-28(22-8-6-5-7-19(22)25)32(30,31)23-15-18(11-12-20(23)26)24(29)27-21-14-16(2)9-10-17(21)3/h4-12,14-15H,1,13H2,2-3H3,(H,27,29)
InChIKeyIVPLTGWZHPDEIT-UHFFFAOYSA-N
MW489.42 g/mol
LogP6.24
Rot. Bonds7

About 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide

4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide (PubChem CID 2448420) has the molecular formula C24H22Cl2N2O3S and a molecular weight of 489.42 g/mol. Its IUPAC name is 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide
PubChem CID2448420
Molecular FormulaC24H22Cl2N2O3S
Molecular Weight489.42 g/mol
Exact Mass488.07
IUPAC Name4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2C)ccc1Cl
InChIInChI=1S/C24H22Cl2N2O3S/c1-4-13-28(22-8-6-5-7-19(22)25)32(30,31)23-15-18(11-12-20(23)26)24(29)27-21-14-16(2)9-10-17(21)3/h4-12,14-15H,1,13H2,2-3H3,(H,27,29)
InChIKeyIVPLTGWZHPDEIT-UHFFFAOYSA-N
XLogP6.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.42
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide
CID 26683589
4-chloro-N-(2-chlorophenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26575051
4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 35029142
(4-chlorophenyl) 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2667252
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
5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 26591753
4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9495516
3-[benzyl-(2-chlorophenyl)sulfamoyl]-4-chloro-N-[2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 167940239
N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 26095075
4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36865653

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide?
The IUPAC name of 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide (CID 2448420) is 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide is C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2C)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide?
The InChIKey is IVPLTGWZHPDEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3S/c1-4-13-28(22-8-6-5-7-19(22)25)32(30,31)23-15-18(11-12-20(23)26)24(29)27-21-14-16(2)9-10-17(21)3/h4-12,14-15H,1,13H2,2-3H3,(H,27,29).
What are the key properties of 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide?
4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide has a molecular weight of 489.42 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide is sourced from PubChem (CID 2448420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).