N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide

C26H23Cl3N2O4S — CID 71160789

IUPACN-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide
SMILESCN(c1c(C(=O)C(C)(C)C)oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12)S(C)(=O)=O
InChIInChI=1S/C26H23Cl3N2O4S/c1-26(2,3)24(32)23-22(31(4)36(5,33)34)19-13-18(14-6-8-15(27)9-7-14)21(30-25(19)35-23)17-11-10-16(28)12-20(17)29/h6-13H,1-5H3
InChIKeyOZONQNAZZZMGAU-UHFFFAOYSA-N
MW565.91 g/mol
LogP7.75
Rot. Bonds5

About N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide

N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide (PubChem CID 71160789) has the molecular formula C26H23Cl3N2O4S and a molecular weight of 565.91 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide
PubChem CID71160789
Molecular FormulaC26H23Cl3N2O4S
Molecular Weight565.91 g/mol
Exact Mass564.04
IUPAC NameN-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide
SMILESCN(c1c(C(=O)C(C)(C)C)oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12)S(C)(=O)=O
InChIInChI=1S/C26H23Cl3N2O4S/c1-26(2,3)24(32)23-22(31(4)36(5,33)34)19-13-18(14-6-8-15(27)9-7-14)21(30-25(19)35-23)17-11-10-16(28)12-20(17)29/h6-13H,1-5H3
InChIKeyOZONQNAZZZMGAU-UHFFFAOYSA-N
XLogP7.75
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.91
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide (CID 71160789) is N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide is CN(c1c(C(=O)C(C)(C)C)oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12)S(C)(=O)=O.
What is the InChIKey of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide?
The InChIKey is OZONQNAZZZMGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl3N2O4S/c1-26(2,3)24(32)23-22(31(4)36(5,33)34)19-13-18(14-6-8-15(27)9-7-14)21(30-25(19)35-23)17-11-10-16(28)12-20(17)29/h6-13H,1-5H3.
What are the key properties of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide?
N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide has a molecular weight of 565.91 g/mol, XLogP of 7.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71160789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).