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

C19H15N3O6S2 — CID 118089836

IUPAC4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(-c4ccc(S(=O)(=O)NCCO)cc4)c3o2)S1
InChIInChI=1S/C19H15N3O6S2/c23-6-5-21-30(26,27)14-3-1-11(2-4-14)15-10-20-9-12-7-13(28-17(12)15)8-16-18(24)22-19(25)29-16/h1-4,7-10,21,23H,5-6H2,(H,22,24,25)/b16-8-
InChIKeyLJWJVFYBRMYHLD-PXNMLYILSA-N
MW445.48 g/mol
LogP2.09
Rot. Bonds6

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

4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 118089836) has the molecular formula C19H15N3O6S2 and a molecular weight of 445.48 g/mol. Its IUPAC name is 4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID118089836
Molecular FormulaC19H15N3O6S2
Molecular Weight445.48 g/mol
Exact Mass445.04
IUPAC Name4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(-c4ccc(S(=O)(=O)NCCO)cc4)c3o2)S1
InChIInChI=1S/C19H15N3O6S2/c23-6-5-21-30(26,27)14-3-1-11(2-4-14)15-10-20-9-12-7-13(28-17(12)15)8-16-18(24)22-19(25)29-16/h1-4,7-10,21,23H,5-6H2,(H,22,24,25)/b16-8-
InChIKeyLJWJVFYBRMYHLD-PXNMLYILSA-N
XLogP2.09
TPSA138.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide (CID 118089836) is 4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide is O=C1NC(=O)/C(=C/c2cc3cncc(-c4ccc(S(=O)(=O)NCCO)cc4)c3o2)S1.
What is the InChIKey of 4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is LJWJVFYBRMYHLD-PXNMLYILSA-N. The full InChI is InChI=1S/C19H15N3O6S2/c23-6-5-21-30(26,27)14-3-1-11(2-4-14)15-10-20-9-12-7-13(28-17(12)15)8-16-18(24)22-19(25)29-16/h1-4,7-10,21,23H,5-6H2,(H,22,24,25)/b16-8-.
What are the key properties of 4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 445.48 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 118089836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).