5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide

C13H13ClN4O3S — CID 19245791

IUPAC5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc(C)n2)n1
InChIInChI=1S/C13H13ClN4O3S/c1-3-22(20,21)13-15-7-9(14)11(18-13)12(19)17-10-6-4-5-8(2)16-10/h4-7H,3H2,1-2H3,(H,16,17,19)
InChIKeyIQEPNQAVLPZOLC-UHFFFAOYSA-N
MW340.79 g/mol
LogP1.88
Rot. Bonds4

About 5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide

5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 19245791) has the molecular formula C13H13ClN4O3S and a molecular weight of 340.79 g/mol. Its IUPAC name is 5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide
PubChem CID19245791
Molecular FormulaC13H13ClN4O3S
Molecular Weight340.79 g/mol
Exact Mass340.04
IUPAC Name5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc(C)n2)n1
InChIInChI=1S/C13H13ClN4O3S/c1-3-22(20,21)13-15-7-9(14)11(18-13)12(19)17-10-6-4-5-8(2)16-10/h4-7H,3H2,1-2H3,(H,16,17,19)
InChIKeyIQEPNQAVLPZOLC-UHFFFAOYSA-N
XLogP1.88
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 19245788
5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6457019
5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 2990902
5-chloro-N-(2,5-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6456920
5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 2988172
5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide
CID 18879986
3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 47378058
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
5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide
CID 18880060
3-amino-6-chloro-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 11219258
(2,3-dimethylphenyl) 5-chloro-2-ethylsulfonylpyrimidine-4-carboxylate
CID 18879984

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide (CID 19245791) is 5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide is CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc(C)n2)n1.
What is the InChIKey of 5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is IQEPNQAVLPZOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3S/c1-3-22(20,21)13-15-7-9(14)11(18-13)12(19)17-10-6-4-5-8(2)16-10/h4-7H,3H2,1-2H3,(H,16,17,19).
What are the key properties of 5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide?
5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 340.79 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 19245791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).