2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide

C19H19ClN4O3S — CID 166215814

IUPAC2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)c1
InChIInChI=1S/C19H19ClN4O3S/c1-12-13(2)24(11-22-12)15-6-4-14(5-7-15)23-19(25)17-10-16(8-9-18(17)20)28(26,27)21-3/h4-11,21H,1-3H3,(H,23,25)
InChIKeyQUUGUAFJZGHQFY-UHFFFAOYSA-N
MW418.91 g/mol
LogP3.30
Rot. Bonds5

About 2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide

2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide (PubChem CID 166215814) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide
PubChem CID166215814
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)c1
InChIInChI=1S/C19H19ClN4O3S/c1-12-13(2)24(11-22-12)15-6-4-14(5-7-15)23-19(25)17-10-16(8-9-18(17)20)28(26,27)21-3/h4-11,21H,1-3H3,(H,23,25)
InChIKeyQUUGUAFJZGHQFY-UHFFFAOYSA-N
XLogP3.30
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78803455
2-chloro-N-(3-chlorophenyl)-5-(methylsulfamoyl)benzamide
CID 9412137
5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219705
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 166215842
2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55909075
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide
CID 166327019
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 166327105
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 166215741
2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide (CID 166215814) is 2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)c1.
What is the InChIKey of 2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide?
The InChIKey is QUUGUAFJZGHQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-12-13(2)24(11-22-12)15-6-4-14(5-7-15)23-19(25)17-10-16(8-9-18(17)20)28(26,27)21-3/h4-11,21H,1-3H3,(H,23,25).
What are the key properties of 2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide?
2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide has a molecular weight of 418.91 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 166215814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).