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

C12H10N4O2S2 — CID 4782547

IUPAC3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2ncnc3sccc23)c1
InChIInChI=1S/C12H10N4O2S2/c13-20(17,18)9-3-1-2-8(6-9)16-11-10-4-5-19-12(10)15-7-14-11/h1-7H,(H2,13,17,18)(H,14,15,16)
InChIKeyWMEMAOXVJVMBHE-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.08
Rot. Bonds3

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

3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide (PubChem CID 4782547) has the molecular formula C12H10N4O2S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
PubChem CID4782547
Molecular FormulaC12H10N4O2S2
Molecular Weight306.37 g/mol
Exact Mass306.02
IUPAC Name3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2ncnc3sccc23)c1
InChIInChI=1S/C12H10N4O2S2/c13-20(17,18)9-3-1-2-8(6-9)16-11-10-4-5-19-12(10)15-7-14-11/h1-7H,(H2,13,17,18)(H,14,15,16)
InChIKeyWMEMAOXVJVMBHE-UHFFFAOYSA-N
XLogP2.08
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide?
The IUPAC name of 3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide (CID 4782547) is 3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide.
What is the SMILES notation for 3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide?
The canonical SMILES for 3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2ncnc3sccc23)c1.
What is the InChIKey of 3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide?
The InChIKey is WMEMAOXVJVMBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S2/c13-20(17,18)9-3-1-2-8(6-9)16-11-10-4-5-19-12(10)15-7-14-11/h1-7H,(H2,13,17,18)(H,14,15,16).
What are the key properties of 3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide?
3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide has a molecular weight of 306.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 4782547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).