N-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide

C17H20ClN3O3S — CID 1039727

IUPACN-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cn2)ccc1C
InChIInChI=1S/C17H20ClN3O3S/c1-4-21(5-2)25(23,24)15-10-13(7-6-12(15)3)17(22)20-16-9-8-14(18)11-19-16/h6-11H,4-5H2,1-3H3,(H,19,20,22)
InChIKeyFQKMWQCFJUGANE-UHFFFAOYSA-N
MW381.89 g/mol
LogP3.33
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide

N-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide (PubChem CID 1039727) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide
PubChem CID1039727
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cn2)ccc1C
InChIInChI=1S/C17H20ClN3O3S/c1-4-21(5-2)25(23,24)15-10-13(7-6-12(15)3)17(22)20-16-9-8-14(18)11-19-16/h6-11H,4-5H2,1-3H3,(H,19,20,22)
InChIKeyFQKMWQCFJUGANE-UHFFFAOYSA-N
XLogP3.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(((5-Chloro-2-pyridinyl)amino)sulfonyl)phenyl)-4-(2-oxo-1(2H)-pyridinyl)benzamide
CID 24794406
2-chloro-N-(5-chloropyridin-2-yl)-5-methylsulfanylbenzamide
CID 690117
N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
CID 1124159
Benzamide, N-(5-chloro-2-pyridinyl)-2-fluoro-
CID 36851
N-(isoquinolin-1-yl)-4-methyl-3-(piperidin-1-ylsulfonyl)benzamide
CID 44446802
N-(5-chloropyridin-2-yl)-2-(4-methylphenyl)acetamide
CID 891155
2-chloro-N-(5-methylpyridin-2-yl)-5-methylsulfanylbenzamide
CID 1224965
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 2347598
N-((5-chloropyridin-2-yl)carbamoyl)benzamide
CID 2987279
4-chloro-N-[4-[(5-methylpyridin-2-yl)amino]-4-oxobutyl]benzamide
CID 18106807
4-chloro-N-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 24686092
4-Chloro-N-{3-[(4-methylpyridin-2-yl)amino]-3-oxopropyl}benzamide
CID 24687552

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide (CID 1039727) is N-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cn2)ccc1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
The InChIKey is FQKMWQCFJUGANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-4-21(5-2)25(23,24)15-10-13(7-6-12(15)3)17(22)20-16-9-8-14(18)11-19-16/h6-11H,4-5H2,1-3H3,(H,19,20,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
N-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide has a molecular weight of 381.89 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-(diethylsulfamoyl)-4-methylbenzamide is sourced from PubChem (CID 1039727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).