2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide

C18H22ClN3O4S — CID 60552239

IUPAC2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(=O)n(CC)c2)c1
InChIInChI=1S/C18H22ClN3O4S/c1-4-21-12-13(7-10-17(21)23)20-18(24)15-11-14(8-9-16(15)19)27(25,26)22(5-2)6-3/h7-12H,4-6H2,1-3H3,(H,20,24)
InChIKeyDZGJBIZKZHJYIM-UHFFFAOYSA-N
MW411.91 g/mol
LogP2.80
Rot. Bonds7

About 2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide

2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide (PubChem CID 60552239) has the molecular formula C18H22ClN3O4S and a molecular weight of 411.91 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
PubChem CID60552239
Molecular FormulaC18H22ClN3O4S
Molecular Weight411.91 g/mol
Exact Mass411.10
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(=O)n(CC)c2)c1
InChIInChI=1S/C18H22ClN3O4S/c1-4-21-12-13(7-10-17(21)23)20-18(24)15-11-14(8-9-16(15)19)27(25,26)22(5-2)6-3/h7-12H,4-6H2,1-3H3,(H,20,24)
InChIKeyDZGJBIZKZHJYIM-UHFFFAOYSA-N
XLogP2.80
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-morpholin-4-ylbenzamide
CID 55990599
N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16610550
2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 18274938
2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 60575411
5-(dimethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-1-ylbenzamide
CID 55812100
N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46550803
2-chloro-5-(diethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280403
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 41114327
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 146323464

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide (CID 60552239) is 2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(=O)n(CC)c2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide?
The InChIKey is DZGJBIZKZHJYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4S/c1-4-21-12-13(7-10-17(21)23)20-18(24)15-11-14(8-9-16(15)19)27(25,26)22(5-2)6-3/h7-12H,4-6H2,1-3H3,(H,20,24).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide?
2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide has a molecular weight of 411.91 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide is sourced from PubChem (CID 60552239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).