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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 24794406
CID 24794406
CID 690117
CID 690117
CID 1124159
CID 1124159
CID 36851
CID 36851
CID 44446802
CID 44446802
CID 891155
CID 891155
CID 1224965
CID 1224965
CID 2347598
CID 2347598
CID 2987279
CID 2987279
CID 18106807
CID 18106807
CID 24686092
CID 24686092
CID 24687552
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).