4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide

C14H14N4O2S2 — CID 2098617

IUPAC4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ncnc3sccc23)cc1
InChIInChI=1S/C14H14N4O2S2/c15-22(19,20)11-3-1-10(2-4-11)5-7-16-13-12-6-8-21-14(12)18-9-17-13/h1-4,6,8-9H,5,7H2,(H2,15,19,20)(H,16,17,18)
InChIKeyGUNWDSJRUUOCKM-UHFFFAOYSA-N
MW334.43 g/mol
LogP1.99
Rot. Bonds5

About 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide

4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide (PubChem CID 2098617) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide
PubChem CID2098617
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ncnc3sccc23)cc1
InChIInChI=1S/C14H14N4O2S2/c15-22(19,20)11-3-1-10(2-4-11)5-7-16-13-12-6-8-21-14(12)18-9-17-13/h1-4,6,8-9H,5,7H2,(H2,15,19,20)(H,16,17,18)
InChIKeyGUNWDSJRUUOCKM-UHFFFAOYSA-N
XLogP1.99
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide (CID 2098617) is 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2ncnc3sccc23)cc1.
What is the InChIKey of 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide?
The InChIKey is GUNWDSJRUUOCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c15-22(19,20)11-3-1-10(2-4-11)5-7-16-13-12-6-8-21-14(12)18-9-17-13/h1-4,6,8-9H,5,7H2,(H2,15,19,20)(H,16,17,18).
What are the key properties of 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide?
4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide has a molecular weight of 334.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 2098617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).