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

C14H13N3O4S2 — CID 39013934

IUPAC4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCn2cnc3ccsc3c2=O)cc1
InChIInChI=1S/C14H13N3O4S2/c15-23(19,20)11-3-1-10(2-4-11)21-7-6-17-9-16-12-5-8-22-13(12)14(17)18/h1-5,8-9H,6-7H2,(H2,15,19,20)
InChIKeyYCHFLIIWKFREEE-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.18
Rot. Bonds5

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

4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide (PubChem CID 39013934) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide
PubChem CID39013934
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC Name4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCn2cnc3ccsc3c2=O)cc1
InChIInChI=1S/C14H13N3O4S2/c15-23(19,20)11-3-1-10(2-4-11)21-7-6-17-9-16-12-5-8-22-13(12)14(17)18/h1-5,8-9H,6-7H2,(H2,15,19,20)
InChIKeyYCHFLIIWKFREEE-UHFFFAOYSA-N
XLogP1.18
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide
CID 39796767
3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 39754273
3-[2-(4-bromophenyl)sulfonylethyl]thieno[3,2-d]pyrimidin-4-one
CID 24578383
3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one
CID 106731636
butyl 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetate
CID 54940897
3-hexylthieno[3,2-d]pyrimidin-4-one
CID 115582354
3-nonylthieno[3,2-d]pyrimidin-4-one
CID 115582352
3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 63316067
3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one
CID 116620736
3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 116620730
3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one
CID 62563244
3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one
CID 62563421

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide (CID 39013934) is 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCCn2cnc3ccsc3c2=O)cc1.
What is the InChIKey of 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide?
The InChIKey is YCHFLIIWKFREEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c15-23(19,20)11-3-1-10(2-4-11)21-7-6-17-9-16-12-5-8-22-13(12)14(17)18/h1-5,8-9H,6-7H2,(H2,15,19,20).
What are the key properties of 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide?
4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide has a molecular weight of 351.41 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 39013934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).