2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide

C21H22ClN3O3S — CID 38276554

IUPAC2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)c3ncccc23)c1
InChIInChI=1S/C21H22ClN3O3S/c1-4-25(5-2)29(27,28)15-9-10-18(22)17(13-15)21(26)24-19-11-8-14(3)20-16(19)7-6-12-23-20/h6-13H,4-5H2,1-3H3,(H,24,26)
InChIKeyFJCUIBWNTNOIMG-UHFFFAOYSA-N
MW431.95 g/mol
LogP4.48
Rot. Bonds6

About 2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide

2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide (PubChem CID 38276554) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide
PubChem CID38276554
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)c3ncccc23)c1
InChIInChI=1S/C21H22ClN3O3S/c1-4-25(5-2)29(27,28)15-9-10-18(22)17(13-15)21(26)24-19-11-8-14(3)20-16(19)7-6-12-23-20/h6-13H,4-5H2,1-3H3,(H,24,26)
InChIKeyFJCUIBWNTNOIMG-UHFFFAOYSA-N
XLogP4.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46550803
2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2547825
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(8-methylquinolin-5-yl)benzamide
CID 38266314
N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2670785
5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 2993264
2-(5-chloroquinolin-8-yl)oxy-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55355338
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 120569164
N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 26524150
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide
CID 27832560
N-[2-chloro-5-(diethylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 2963512

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide (CID 38276554) is 2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)c3ncccc23)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide?
The InChIKey is FJCUIBWNTNOIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c1-4-25(5-2)29(27,28)15-9-10-18(22)17(13-15)21(26)24-19-11-8-14(3)20-16(19)7-6-12-23-20/h6-13H,4-5H2,1-3H3,(H,24,26).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide?
2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide has a molecular weight of 431.95 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide is sourced from PubChem (CID 38276554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).