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

C14H12Cl3N3O3S — CID 18879986

IUPAC5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide
SMILESCCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H12Cl3N3O3S/c1-2-6-24(22,23)14-18-7-9(16)12(20-14)13(21)19-10-5-3-4-8(15)11(10)17/h3-5,7H,2,6H2,1H3,(H,19,21)
InChIKeyWTLVWVQHMKAWAZ-UHFFFAOYSA-N
MW408.69 g/mol
LogP3.87
Rot. Bonds5

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

5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide (PubChem CID 18879986) has the molecular formula C14H12Cl3N3O3S and a molecular weight of 408.69 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide
PubChem CID18879986
Molecular FormulaC14H12Cl3N3O3S
Molecular Weight408.69 g/mol
Exact Mass406.97
IUPAC Name5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide
SMILESCCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H12Cl3N3O3S/c1-2-6-24(22,23)14-18-7-9(16)12(20-14)13(21)19-10-5-3-4-8(15)11(10)17/h3-5,7H,2,6H2,1H3,(H,19,21)
InChIKeyWTLVWVQHMKAWAZ-UHFFFAOYSA-N
XLogP3.87
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.69
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6457019
5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide
CID 19245791
5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide
CID 2985513
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
(4-iodophenyl) 5-chloro-2-propylsulfonylpyrimidine-4-carboxylate
CID 18880005
5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 2988172
5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-propylsulfonylpyrimidine-4-carboxamide
CID 18880113
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 2992367
5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide
CID 18880120
5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide
CID 19245702

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide (CID 18879986) is 5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide is CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide?
The InChIKey is WTLVWVQHMKAWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N3O3S/c1-2-6-24(22,23)14-18-7-9(16)12(20-14)13(21)19-10-5-3-4-8(15)11(10)17/h3-5,7H,2,6H2,1H3,(H,19,21).
What are the key properties of 5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide?
5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide has a molecular weight of 408.69 g/mol, XLogP of 3.87, 5 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-propylsulfonylpyrimidine-4-carboxamide is sourced from PubChem (CID 18879986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).