2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide

C21H19Cl2N3O5S — CID 16573409

IUPAC2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C)cn3)c2)cc1Cl
InChIInChI=1S/C21H19Cl2N3O5S/c1-12-4-7-20(24-11-12)25-21(27)14-8-13(5-6-15(14)22)32(28,29)26-17-9-16(23)18(30-2)10-19(17)31-3/h4-11,26H,1-3H3,(H,24,25,27)
InChIKeyFTOGIOIKSMKEON-UHFFFAOYSA-N
MW496.37 g/mol
LogP4.77
Rot. Bonds7

About 2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide

2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 16573409) has the molecular formula C21H19Cl2N3O5S and a molecular weight of 496.37 g/mol. Its IUPAC name is 2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID16573409
Molecular FormulaC21H19Cl2N3O5S
Molecular Weight496.37 g/mol
Exact Mass495.04
IUPAC Name2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C)cn3)c2)cc1Cl
InChIInChI=1S/C21H19Cl2N3O5S/c1-12-4-7-20(24-11-12)25-21(27)14-8-13(5-6-15(14)22)32(28,29)26-17-9-16(23)18(30-2)10-19(17)31-3/h4-11,26H,1-3H3,(H,24,25,27)
InChIKeyFTOGIOIKSMKEON-UHFFFAOYSA-N
XLogP4.77
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.37
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 78794689
2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide
CID 5178353
5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide
CID 38982305
4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55867170
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 17395012
5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methoxy-N-methylbenzamide
CID 6471703
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
5-(cyclopropylsulfamoyl)-2-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 46679817
N-(5-chloro-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7510365
N-(5-chloro-2,4-dimethoxyphenyl)-4-(dimethylamino)benzenesulfonamide
CID 167884327
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
CID 925288

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide (CID 16573409) is 2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide is COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C)cn3)c2)cc1Cl.
What is the InChIKey of 2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is FTOGIOIKSMKEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O5S/c1-12-4-7-20(24-11-12)25-21(27)14-8-13(5-6-15(14)22)32(28,29)26-17-9-16(23)18(30-2)10-19(17)31-3/h4-11,26H,1-3H3,(H,24,25,27).
What are the key properties of 2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 496.37 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 16573409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).