2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide

C18H21ClN2O4S — CID 8960771

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C18H21ClN2O4S/c1-20(2)26(23,24)15-9-10-17(19)16(13-15)18(22)21(3)11-12-25-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
InChIKeyJQPOTGRDZOHJQG-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.74
Rot. Bonds7

About 2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide

2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide (PubChem CID 8960771) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
PubChem CID8960771
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C18H21ClN2O4S/c1-20(2)26(23,24)15-9-10-17(19)16(13-15)18(22)21(3)11-12-25-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
InChIKeyJQPOTGRDZOHJQG-UHFFFAOYSA-N
XLogP2.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
CID 61114074
2-chloro-5-(dimethylsulfamoyl)-N,N-bis(2-phenylethyl)benzamide
CID 38071509
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960780
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 55605627
2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2648928
2-chloro-N-[4-(4-chlorophenoxy)butyl]-5-(dimethylsulfamoyl)benzamide
CID 16567613
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 86943587
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 2455724
N-benzyl-5-[benzyl(methyl)sulfamoyl]-2-chloro-N-methylbenzamide
CID 24539973
2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 103891558

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide (CID 8960771) is 2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide is CN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is JQPOTGRDZOHJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-20(2)26(23,24)15-9-10-17(19)16(13-15)18(22)21(3)11-12-25-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 396.90 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 8960771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).