2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide

C12H9Cl2NO4S — CID 106685589

IUPAC2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccoc2Cl)c1
InChIInChI=1S/C12H9Cl2NO4S/c1-20(17,18)7-2-3-9(13)10(6-7)15-12(16)8-4-5-19-11(8)14/h2-6H,1H3,(H,15,16)
InChIKeyFCZWIOWBANQUQR-UHFFFAOYSA-N
MW334.18 g/mol
LogP3.24
Rot. Bonds3

About 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide

2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide (PubChem CID 106685589) has the molecular formula C12H9Cl2NO4S and a molecular weight of 334.18 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide
PubChem CID106685589
Molecular FormulaC12H9Cl2NO4S
Molecular Weight334.18 g/mol
Exact Mass332.96
IUPAC Name2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccoc2Cl)c1
InChIInChI=1S/C12H9Cl2NO4S/c1-20(17,18)7-2-3-9(13)10(6-7)15-12(16)8-4-5-19-11(8)14/h2-6H,1H3,(H,15,16)
InChIKeyFCZWIOWBANQUQR-UHFFFAOYSA-N
XLogP3.24
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
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N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide
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N-(2-chloro-5-methylsulfonylphenyl)-6-fluoropyridine-3-carboxamide
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N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide
CID 113218224
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
2-chloro-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide (CID 106685589) is 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccoc2Cl)c1.
What is the InChIKey of 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide?
The InChIKey is FCZWIOWBANQUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO4S/c1-20(17,18)7-2-3-9(13)10(6-7)15-12(16)8-4-5-19-11(8)14/h2-6H,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide?
2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide has a molecular weight of 334.18 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide is sourced from PubChem (CID 106685589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).