4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide

C19H23ClN2O4S — CID 91753805

IUPAC4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide
SMILESCOc1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)N(C)c1c(C)cccc1C
InChIInChI=1S/C19H23ClN2O4S/c1-12-8-7-9-13(2)18(12)22(5)19(23)14-10-17(27(24,25)21(3)4)15(20)11-16(14)26-6/h7-11H,1-6H3
InChIKeyVTQHJVKXXBXKKF-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.49
Rot. Bonds5

About 4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide

4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide (PubChem CID 91753805) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide
PubChem CID91753805
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide
SMILESCOc1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)N(C)c1c(C)cccc1C
InChIInChI=1S/C19H23ClN2O4S/c1-12-8-7-9-13(2)18(12)22(5)19(23)14-10-17(27(24,25)21(3)4)15(20)11-16(14)26-6/h7-11H,1-6H3
InChIKeyVTQHJVKXXBXKKF-UHFFFAOYSA-N
XLogP3.49
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide?
The IUPAC name of 4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide (CID 91753805) is 4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide is COc1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)N(C)c1c(C)cccc1C.
What is the InChIKey of 4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide?
The InChIKey is VTQHJVKXXBXKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-12-8-7-9-13(2)18(12)22(5)19(23)14-10-17(27(24,25)21(3)4)15(20)11-16(14)26-6/h7-11H,1-6H3.
What are the key properties of 4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide?
4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide has a molecular weight of 410.92 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-dimethylphenyl)-5-(dimethylsulfamoyl)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 91753805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).