N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

C16H18Cl2N4O4S — CID 25481584

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)n(C)c1
InChIInChI=1S/C16H18Cl2N4O4S/c1-19-27(25,26)10-7-13(21(2)8-10)16(24)22(3)9-14(23)20-15-11(17)5-4-6-12(15)18/h4-8,19H,9H2,1-3H3,(H,20,23)
InChIKeyMYVAGXXGLZZSIT-UHFFFAOYSA-N
MW433.32 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 25481584) has the molecular formula C16H18Cl2N4O4S and a molecular weight of 433.32 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
PubChem CID25481584
Molecular FormulaC16H18Cl2N4O4S
Molecular Weight433.32 g/mol
Exact Mass432.04
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)n(C)c1
InChIInChI=1S/C16H18Cl2N4O4S/c1-19-27(25,26)10-7-13(21(2)8-10)16(24)22(3)9-14(23)20-15-11(17)5-4-6-12(15)18/h4-8,19H,9H2,1-3H3,(H,20,23)
InChIKeyMYVAGXXGLZZSIT-UHFFFAOYSA-N
XLogP1.95
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (CID 25481584) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)n(C)c1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is MYVAGXXGLZZSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O4S/c1-19-27(25,26)10-7-13(21(2)8-10)16(24)22(3)9-14(23)20-15-11(17)5-4-6-12(15)18/h4-8,19H,9H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 433.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 25481584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).