4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

C24H26ClN3O4S — CID 24536278

IUPAC4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(c3ccccc3)N(C)C)ccc2Cl)cc1
InChIInChI=1S/C24H26ClN3O4S/c1-28(2)22(17-7-5-4-6-8-17)16-26-24(29)18-9-14-21(25)23(15-18)33(30,31)27-19-10-12-20(32-3)13-11-19/h4-15,22,27H,16H2,1-3H3,(H,26,29)
InChIKeyXQWFHINBCKBCEY-UHFFFAOYSA-N
MW488.01 g/mol
LogP4.18
Rot. Bonds9

About 4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 24536278) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID24536278
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC Name4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(c3ccccc3)N(C)C)ccc2Cl)cc1
InChIInChI=1S/C24H26ClN3O4S/c1-28(2)22(17-7-5-4-6-8-17)16-26-24(29)18-9-14-21(25)23(15-18)33(30,31)27-19-10-12-20(32-3)13-11-19/h4-15,22,27H,16H2,1-3H3,(H,26,29)
InChIKeyXQWFHINBCKBCEY-UHFFFAOYSA-N
XLogP4.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24536279
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
CID 24549447
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide
CID 133229135
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 25391058
4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536359
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 4969477
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide
CID 30858884
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 25331393

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 24536278) is 4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(c3ccccc3)N(C)C)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is XQWFHINBCKBCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4S/c1-28(2)22(17-7-5-4-6-8-17)16-26-24(29)18-9-14-21(25)23(15-18)33(30,31)27-19-10-12-20(32-3)13-11-19/h4-15,22,27H,16H2,1-3H3,(H,26,29).
What are the key properties of 4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 488.01 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24536278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).