5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide

C12H9Cl2N3O3S — CID 2985513

IUPAC5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide
SMILESCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C12H9Cl2N3O3S/c1-21(19,20)12-15-6-8(14)10(17-12)11(18)16-9-5-3-2-4-7(9)13/h2-6H,1H3,(H,16,18)
InChIKeyMUTHFCZOXUWWCQ-UHFFFAOYSA-N
MW346.20 g/mol
LogP2.44
Rot. Bonds3

About 5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide

5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide (PubChem CID 2985513) has the molecular formula C12H9Cl2N3O3S and a molecular weight of 346.20 g/mol. Its IUPAC name is 5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide
PubChem CID2985513
Molecular FormulaC12H9Cl2N3O3S
Molecular Weight346.20 g/mol
Exact Mass344.97
IUPAC Name5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide
SMILESCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C12H9Cl2N3O3S/c1-21(19,20)12-15-6-8(14)10(17-12)11(18)16-9-5-3-2-4-7(9)13/h2-6H,1H3,(H,16,18)
InChIKeyMUTHFCZOXUWWCQ-UHFFFAOYSA-N
XLogP2.44
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide
CID 19245702
5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6457019
5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide
CID 18879986
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-butyl-5-chloro-2-methylsulfonylpyrimidine-4-carboxamide
CID 19155007
5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide
CID 2989871
N-(2-chlorophenyl)-5-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-methylsulfonylpyrimidine-4-carboxamide
CID 17011015
5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 2990902
5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide
CID 19245791
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide (CID 2985513) is 5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide is CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccc2Cl)n1.
What is the InChIKey of 5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide?
The InChIKey is MUTHFCZOXUWWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O3S/c1-21(19,20)12-15-6-8(14)10(17-12)11(18)16-9-5-3-2-4-7(9)13/h2-6H,1H3,(H,16,18).
What are the key properties of 5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide?
5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide has a molecular weight of 346.20 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide is sourced from PubChem (CID 2985513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).