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

C23H17Cl3N2O6S2 — CID 10348361

IUPACN-[2-acetyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide
SMILESCC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C23H17Cl3N2O6S2/c1-12(29)22-21(28(35(2,30)31)36(3,32)33)18-11-17(13-4-6-14(24)7-5-13)20(27-23(18)34-22)16-9-8-15(25)10-19(16)26/h4-11H,1-3H3
InChIKeyCNKVWRMAXUCVCP-UHFFFAOYSA-N
MW587.89 g/mol
LogP6.05
Rot. Bonds6

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

N-[2-acetyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide (PubChem CID 10348361) has the molecular formula C23H17Cl3N2O6S2 and a molecular weight of 587.89 g/mol. Its IUPAC name is N-[2-acetyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-acetyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide
PubChem CID10348361
Molecular FormulaC23H17Cl3N2O6S2
Molecular Weight587.89 g/mol
Exact Mass585.96
IUPAC NameN-[2-acetyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide
SMILESCC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C23H17Cl3N2O6S2/c1-12(29)22-21(28(35(2,30)31)36(3,32)33)18-11-17(13-4-6-14(24)7-5-13)20(27-23(18)34-22)16-9-8-15(25)10-19(16)26/h4-11H,1-3H3
InChIKeyCNKVWRMAXUCVCP-UHFFFAOYSA-N
XLogP6.05
TPSA114.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.89
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[2-acetyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide (CID 10348361) is N-[2-acetyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[2-acetyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[2-acetyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide is CC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N(S(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of N-[2-acetyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide?
The InChIKey is CNKVWRMAXUCVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3N2O6S2/c1-12(29)22-21(28(35(2,30)31)36(3,32)33)18-11-17(13-4-6-14(24)7-5-13)20(27-23(18)34-22)16-9-8-15(25)10-19(16)26/h4-11H,1-3H3.
What are the key properties of N-[2-acetyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide?
N-[2-acetyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide has a molecular weight of 587.89 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 10348361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).