2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide

C19H23ClN2O4S — CID 86943587

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CCO)CCc2ccccc2)c1
InChIInChI=1S/C19H23ClN2O4S/c1-21(2)27(25,26)16-8-9-18(20)17(14-16)19(24)22(12-13-23)11-10-15-6-4-3-5-7-15/h3-9,14,23H,10-13H2,1-2H3
InChIKeyQAJGCPNGLYQQGN-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.27
Rot. Bonds8

About 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide

2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide (PubChem CID 86943587) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
PubChem CID86943587
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CCO)CCc2ccccc2)c1
InChIInChI=1S/C19H23ClN2O4S/c1-21(2)27(25,26)16-8-9-18(20)17(14-16)19(24)22(12-13-23)11-10-15-6-4-3-5-7-15/h3-9,14,23H,10-13H2,1-2H3
InChIKeyQAJGCPNGLYQQGN-UHFFFAOYSA-N
XLogP2.27
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N,N-bis(2-phenylethyl)benzamide
CID 38071509
N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 24676552
4-(dimethylsulfamoyl)-N-ethyl-N-(2-phenylethyl)benzamide
CID 55588043
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78855605
2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960771
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122037
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide
CID 60655214
N-benzyl-5-[benzyl(methyl)sulfamoyl]-2-chloro-N-methylbenzamide
CID 24539973
N-(2-hydroxyethyl)-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 111122151
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide
CID 55336680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide (CID 86943587) is 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CCO)CCc2ccccc2)c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The InChIKey is QAJGCPNGLYQQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-21(2)27(25,26)16-8-9-18(20)17(14-16)19(24)22(12-13-23)11-10-15-6-4-3-5-7-15/h3-9,14,23H,10-13H2,1-2H3.
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide has a molecular weight of 410.92 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 86943587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).