N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide

C20H16Cl2FNO5S — CID 46857860

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C20H16Cl2FNO5S/c1-28-17-6-3-13(21)9-19(17)30(26,27)11-14-4-7-18(29-14)20(25)24-10-12-2-5-16(23)15(22)8-12/h2-9H,10-11H2,1H3,(H,24,25)
InChIKeyCNVJUXDOHUZBPM-UHFFFAOYSA-N
MW472.32 g/mol
LogP4.64
Rot. Bonds7

About N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide (PubChem CID 46857860) has the molecular formula C20H16Cl2FNO5S and a molecular weight of 472.32 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
PubChem CID46857860
Molecular FormulaC20H16Cl2FNO5S
Molecular Weight472.32 g/mol
Exact Mass471.01
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C20H16Cl2FNO5S/c1-28-17-6-3-13(21)9-19(17)30(26,27)11-14-4-7-18(29-14)20(25)24-10-12-2-5-16(23)15(22)8-12/h2-9H,10-11H2,1H3,(H,24,25)
InChIKeyCNVJUXDOHUZBPM-UHFFFAOYSA-N
XLogP4.64
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.32
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide with MolForge

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Related Compounds

5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 46857856
N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859695
N-[(2-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 3242702
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
5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 46857835
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 4104667
N-[(3-amino-4-methoxyphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 82873015
5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4661810
N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859683
1-[(3-chloro-4-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)thiourea
CID 3254849

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide (CID 46857860) is N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide is COc1ccc(Cl)cc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)o1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
The InChIKey is CNVJUXDOHUZBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FNO5S/c1-28-17-6-3-13(21)9-19(17)30(26,27)11-14-4-7-18(29-14)20(25)24-10-12-2-5-16(23)15(22)8-12/h2-9H,10-11H2,1H3,(H,24,25).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide has a molecular weight of 472.32 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 46857860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).