2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide

C14H11Cl3N2O3S — CID 75468067

IUPAC2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)c(Cl)cn2)c1
InChIInChI=1S/C14H11Cl3N2O3S/c1-2-23(21,22)8-3-4-10(15)9(5-8)14(20)19-13-6-11(16)12(17)7-18-13/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyKNYWGYDIOIIGSR-UHFFFAOYSA-N
MW393.68 g/mol
LogP4.09
Rot. Bonds4

About 2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide

2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide (PubChem CID 75468067) has the molecular formula C14H11Cl3N2O3S and a molecular weight of 393.68 g/mol. Its IUPAC name is 2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide
PubChem CID75468067
Molecular FormulaC14H11Cl3N2O3S
Molecular Weight393.68 g/mol
Exact Mass391.96
IUPAC Name2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)c(Cl)cn2)c1
InChIInChI=1S/C14H11Cl3N2O3S/c1-2-23(21,22)8-3-4-10(15)9(5-8)14(20)19-13-6-11(16)12(17)7-18-13/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyKNYWGYDIOIIGSR-UHFFFAOYSA-N
XLogP4.09
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.68
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 78794689
2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 55362920
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-ethylsulfonylbenzamide
CID 166200173
2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2547825
5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114923893
N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide
CID 58614661
5-chloro-N-(3,4-dichlorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921560
2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide
CID 51206951
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114922085
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327245
4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine
CID 147755411

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide (CID 75468067) is 2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide is CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)c(Cl)cn2)c1.
What is the InChIKey of 2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide?
The InChIKey is KNYWGYDIOIIGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O3S/c1-2-23(21,22)8-3-4-10(15)9(5-8)14(20)19-13-6-11(16)12(17)7-18-13/h3-7H,2H2,1H3,(H,18,19,20).
What are the key properties of 2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide?
2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide has a molecular weight of 393.68 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide is sourced from PubChem (CID 75468067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).