2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide

C19H13Cl2N3O5S2 — CID 118089390

IUPAC2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1c(Cl)cc(-c2cncc3cc(/C=C4\SC(=O)NC4=O)oc23)cc1Cl
InChIInChI=1S/C19H13Cl2N3O5S2/c1-24(2)31(27,28)17-13(20)4-9(5-14(17)21)12-8-22-7-10-3-11(29-16(10)12)6-15-18(25)23-19(26)30-15/h3-8H,1-2H3,(H,23,25,26)/b15-6-
InChIKeyPRPIYSHMWKHLEG-UUASQNMZSA-N
MW498.37 g/mol
LogP4.38
Rot. Bonds4

About 2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide

2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 118089390) has the molecular formula C19H13Cl2N3O5S2 and a molecular weight of 498.37 g/mol. Its IUPAC name is 2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID118089390
Molecular FormulaC19H13Cl2N3O5S2
Molecular Weight498.37 g/mol
Exact Mass496.97
IUPAC Name2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1c(Cl)cc(-c2cncc3cc(/C=C4\SC(=O)NC4=O)oc23)cc1Cl
InChIInChI=1S/C19H13Cl2N3O5S2/c1-24(2)31(27,28)17-13(20)4-9(5-14(17)21)12-8-22-7-10-3-11(29-16(10)12)6-15-18(25)23-19(26)30-15/h3-8H,1-2H3,(H,23,25,26)/b15-6-
InChIKeyPRPIYSHMWKHLEG-UUASQNMZSA-N
XLogP4.38
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide (CID 118089390) is 2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1c(Cl)cc(-c2cncc3cc(/C=C4\SC(=O)NC4=O)oc23)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is PRPIYSHMWKHLEG-UUASQNMZSA-N. The full InChI is InChI=1S/C19H13Cl2N3O5S2/c1-24(2)31(27,28)17-13(20)4-9(5-14(17)21)12-8-22-7-10-3-11(29-16(10)12)6-15-18(25)23-19(26)30-15/h3-8H,1-2H3,(H,23,25,26)/b15-6-.
What are the key properties of 2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide?
2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 498.37 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 118089390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).