5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide

C13H10Cl3N3O3S — CID 6457019

IUPAC5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H10Cl3N3O3S/c1-2-23(21,22)13-17-6-8(15)11(19-13)12(20)18-9-5-3-4-7(14)10(9)16/h3-6H,2H2,1H3,(H,18,20)
InChIKeyLYUAVVGLVXQCLH-UHFFFAOYSA-N
MW394.67 g/mol
LogP3.48
Rot. Bonds4

About 5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide

5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide (PubChem CID 6457019) has the molecular formula C13H10Cl3N3O3S and a molecular weight of 394.67 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
PubChem CID6457019
Molecular FormulaC13H10Cl3N3O3S
Molecular Weight394.67 g/mol
Exact Mass392.95
IUPAC Name5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H10Cl3N3O3S/c1-2-23(21,22)13-17-6-8(15)11(19-13)12(20)18-9-5-3-4-7(14)10(9)16/h3-6H,2H2,1H3,(H,18,20)
InChIKeyLYUAVVGLVXQCLH-UHFFFAOYSA-N
XLogP3.48
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.67
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide
CID 18879986
5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide
CID 19245791
5-chloro-N-(2,5-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6456920
5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 19245788
5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 2990902
5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide
CID 2985513
5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 2988172
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 2992367
5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide
CID 19245702
phenyl 5-chloro-2-ethylsulfonylpyrimidine-4-carboxylate
CID 39835107
5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide
CID 18880060
(2,3-dimethylphenyl) 5-chloro-2-ethylsulfonylpyrimidine-4-carboxylate
CID 18879984

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide (CID 6457019) is 5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide is CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide?
The InChIKey is LYUAVVGLVXQCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O3S/c1-2-23(21,22)13-17-6-8(15)11(19-13)12(20)18-9-5-3-4-7(14)10(9)16/h3-6H,2H2,1H3,(H,18,20).
What are the key properties of 5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide?
5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide has a molecular weight of 394.67 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide is sourced from PubChem (CID 6457019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).