5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide

C22H15Cl2N3O5S — CID 18880060

IUPAC5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)n1
InChIInChI=1S/C22H15Cl2N3O5S/c1-2-33(30,31)22-25-11-15(24)18(27-22)21(29)26-17-14-5-3-4-6-16(14)32-20(17)19(28)12-7-9-13(23)10-8-12/h3-11H,2H2,1H3,(H,26,29)
InChIKeyZPQPKNMAGGDPNS-UHFFFAOYSA-N
MW504.35 g/mol
LogP4.81
Rot. Bonds6

About 5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide

5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide (PubChem CID 18880060) has the molecular formula C22H15Cl2N3O5S and a molecular weight of 504.35 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide
PubChem CID18880060
Molecular FormulaC22H15Cl2N3O5S
Molecular Weight504.35 g/mol
Exact Mass503.01
IUPAC Name5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)n1
InChIInChI=1S/C22H15Cl2N3O5S/c1-2-33(30,31)22-25-11-15(24)18(27-22)21(29)26-17-14-5-3-4-6-16(14)32-20(17)19(28)12-7-9-13(23)10-8-12/h3-11H,2H2,1H3,(H,26,29)
InChIKeyZPQPKNMAGGDPNS-UHFFFAOYSA-N
XLogP4.81
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-propylsulfonylpyrimidine-4-carboxamide
CID 18880113
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide
CID 18880073
2-benzylsulfonyl-5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]pyrimidine-4-carboxamide
CID 154811054
5-chloro-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
CID 19119888
5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 19245788
5-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
CID 19119763
5-chloro-N-(2,5-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6456920
4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829839
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
CID 4067768
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide
CID 19245791

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide (CID 18880060) is 5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide is CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)n1.
What is the InChIKey of 5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide?
The InChIKey is ZPQPKNMAGGDPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O5S/c1-2-33(30,31)22-25-11-15(24)18(27-22)21(29)26-17-14-5-3-4-6-16(14)32-20(17)19(28)12-7-9-13(23)10-8-12/h3-11H,2H2,1H3,(H,26,29).
What are the key properties of 5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide?
5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide has a molecular weight of 504.35 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide is sourced from PubChem (CID 18880060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).