5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide

C20H17Cl2NO5S — CID 46857856

IUPAC5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccccc2Cl)o1
InChIInChI=1S/C20H17Cl2NO5S/c1-27-17-8-6-14(21)10-19(17)29(25,26)12-15-7-9-18(28-15)20(24)23-11-13-4-2-3-5-16(13)22/h2-10H,11-12H2,1H3,(H,23,24)
InChIKeyACFSKGWJZOOYSB-UHFFFAOYSA-N
MW454.33 g/mol
LogP4.50
Rot. Bonds7

About 5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide

5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide (PubChem CID 46857856) has the molecular formula C20H17Cl2NO5S and a molecular weight of 454.33 g/mol. Its IUPAC name is 5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
PubChem CID46857856
Molecular FormulaC20H17Cl2NO5S
Molecular Weight454.33 g/mol
Exact Mass453.02
IUPAC Name5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccccc2Cl)o1
InChIInChI=1S/C20H17Cl2NO5S/c1-27-17-8-6-14(21)10-19(17)29(25,26)12-15-7-9-18(28-15)20(24)23-11-13-4-2-3-5-16(13)22/h2-10H,11-12H2,1H3,(H,23,24)
InChIKeyACFSKGWJZOOYSB-UHFFFAOYSA-N
XLogP4.50
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 46857860
N-[(2-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 3242702
N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859683
N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859695
N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5068893
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5307755
N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859588
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4661810
N-[(5-bromo-2-methoxyphenyl)methyl]-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4533618
N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide
CID 36861804
5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 4104667

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide (CID 46857856) is 5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide is COc1ccc(Cl)cc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccccc2Cl)o1.
What is the InChIKey of 5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide?
The InChIKey is ACFSKGWJZOOYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO5S/c1-27-17-8-6-14(21)10-19(17)29(25,26)12-15-7-9-18(28-15)20(24)23-11-13-4-2-3-5-16(13)22/h2-10H,11-12H2,1H3,(H,23,24).
What are the key properties of 5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide?
5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide has a molecular weight of 454.33 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 46857856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).