4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide

C14H13N3O3S2 — CID 39796767

IUPAC4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCn2cnc3ccsc3c2=O)cc1
InChIInChI=1S/C14H13N3O3S2/c15-22(19,20)11-3-1-10(2-4-11)5-7-17-9-16-12-6-8-21-13(12)14(17)18/h1-4,6,8-9H,5,7H2,(H2,15,19,20)
InChIKeyTZNSYWKLBHBILR-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.35
Rot. Bonds4

About 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide

4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide (PubChem CID 39796767) has the molecular formula C14H13N3O3S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide
PubChem CID39796767
Molecular FormulaC14H13N3O3S2
Molecular Weight335.41 g/mol
Exact Mass335.04
IUPAC Name4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCn2cnc3ccsc3c2=O)cc1
InChIInChI=1S/C14H13N3O3S2/c15-22(19,20)11-3-1-10(2-4-11)5-7-17-9-16-12-6-8-21-13(12)14(17)18/h1-4,6,8-9H,5,7H2,(H2,15,19,20)
InChIKeyTZNSYWKLBHBILR-UHFFFAOYSA-N
XLogP1.35
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide (CID 39796767) is 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCn2cnc3ccsc3c2=O)cc1.
What is the InChIKey of 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is TZNSYWKLBHBILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S2/c15-22(19,20)11-3-1-10(2-4-11)5-7-17-9-16-12-6-8-21-13(12)14(17)18/h1-4,6,8-9H,5,7H2,(H2,15,19,20).
What are the key properties of 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide?
4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 335.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 39796767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).