5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

C14H14ClN3O3S — CID 2990902

IUPAC5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C14H14ClN3O3S/c1-3-22(20,21)14-16-8-11(15)12(18-14)13(19)17-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyLRHCORWGZWHMCH-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.48
Rot. Bonds4

About 5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 2990902) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID2990902
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C14H14ClN3O3S/c1-3-22(20,21)14-16-8-11(15)12(18-14)13(19)17-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyLRHCORWGZWHMCH-UHFFFAOYSA-N
XLogP2.48
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 2988172
5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide
CID 19245791
5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6457019
5-chloro-N-(2,5-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6456920
5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 19245788
N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
CID 19119637
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 2992367
5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide
CID 18879986
3-chloro-6-(ethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62165390
5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide
CID 18880120
5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide
CID 2985513
6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide
CID 55042017

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 2990902) is 5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(C)cc2)n1.
What is the InChIKey of 5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is LRHCORWGZWHMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-3-22(20,21)14-16-8-11(15)12(18-14)13(19)17-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,17,19).
What are the key properties of 5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 339.80 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 2990902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).