5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide

C10H13N3O5S2 — CID 167857778

IUPAC5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)o1
InChIInChI=1S/C10H13N3O5S2/c11-8-9-2-3-10(18-9)20(16,17)12-4-6-13-5-1-7-19(13,14)15/h2-3,12H,1,4-7H2
InChIKeyBAYWVULROJSJQZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP-0.53
Rot. Bonds5

About 5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide

5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide (PubChem CID 167857778) has the molecular formula C10H13N3O5S2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide
PubChem CID167857778
Molecular FormulaC10H13N3O5S2
Molecular Weight319.36 g/mol
Exact Mass319.03
IUPAC Name5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)o1
InChIInChI=1S/C10H13N3O5S2/c11-8-9-2-3-10(18-9)20(16,17)12-4-6-13-5-1-7-19(13,14)15/h2-3,12H,1,4-7H2
InChIKeyBAYWVULROJSJQZ-UHFFFAOYSA-N
XLogP-0.53
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide?
The IUPAC name of 5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide (CID 167857778) is 5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)o1.
What is the InChIKey of 5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide?
The InChIKey is BAYWVULROJSJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S2/c11-8-9-2-3-10(18-9)20(16,17)12-4-6-13-5-1-7-19(13,14)15/h2-3,12H,1,4-7H2.
What are the key properties of 5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide?
5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide has a molecular weight of 319.36 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-sulfonamide is sourced from PubChem (CID 167857778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).