2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide

C24H26ClN3O3S — CID 4881932

IUPAC2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(C)C(CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)c1ccccc1
InChIInChI=1S/C24H26ClN3O3S/c1-27(2)23(18-10-6-4-7-11-18)17-26-24(29)21-16-20(14-15-22(21)25)32(30,31)28(3)19-12-8-5-9-13-19/h4-16,23H,17H2,1-3H3,(H,26,29)
InChIKeyBAMHRHHJUIHVEL-UHFFFAOYSA-N
MW472.01 g/mol
LogP4.20
Rot. Bonds8

About 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide

2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 4881932) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID4881932
Molecular FormulaC24H26ClN3O3S
Molecular Weight472.01 g/mol
Exact Mass471.14
IUPAC Name2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(C)C(CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)c1ccccc1
InChIInChI=1S/C24H26ClN3O3S/c1-27(2)23(18-10-6-4-7-11-18)17-26-24(29)21-16-20(14-15-22(21)25)32(30,31)28(3)19-12-8-5-9-13-19/h4-16,23H,17H2,1-3H3,(H,26,29)
InChIKeyBAMHRHHJUIHVEL-UHFFFAOYSA-N
XLogP4.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide (CID 4881932) is 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide is CN(C)C(CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is BAMHRHHJUIHVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c1-27(2)23(18-10-6-4-7-11-18)17-26-24(29)21-16-20(14-15-22(21)25)32(30,31)28(3)19-12-8-5-9-13-19/h4-16,23H,17H2,1-3H3,(H,26,29).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 472.01 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4881932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).