3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide

C12H10N4O2S2 — CID 44528665

IUPAC3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide
SMILESNc1ncnc2cc(-c3cccc(S(N)(=O)=O)c3)sc12
InChIInChI=1S/C12H10N4O2S2/c13-12-11-9(15-6-16-12)5-10(19-11)7-2-1-3-8(4-7)20(14,17)18/h1-6H,(H2,13,15,16)(H2,14,17,18)
InChIKeyMQMXDJVOZKMSNT-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.59
Rot. Bonds2

About 3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide

3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide (PubChem CID 44528665) has the molecular formula C12H10N4O2S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide
PubChem CID44528665
Molecular FormulaC12H10N4O2S2
Molecular Weight306.37 g/mol
Exact Mass306.02
IUPAC Name3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide
SMILESNc1ncnc2cc(-c3cccc(S(N)(=O)=O)c3)sc12
InChIInChI=1S/C12H10N4O2S2/c13-12-11-9(15-6-16-12)5-10(19-11)7-2-1-3-8(4-7)20(14,17)18/h1-6H,(H2,13,15,16)(H2,14,17,18)
InChIKeyMQMXDJVOZKMSNT-UHFFFAOYSA-N
XLogP1.59
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide?
The IUPAC name of 3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide (CID 44528665) is 3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide.
What is the SMILES notation for 3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide?
The canonical SMILES for 3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide is Nc1ncnc2cc(-c3cccc(S(N)(=O)=O)c3)sc12.
What is the InChIKey of 3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide?
The InChIKey is MQMXDJVOZKMSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S2/c13-12-11-9(15-6-16-12)5-10(19-11)7-2-1-3-8(4-7)20(14,17)18/h1-6H,(H2,13,15,16)(H2,14,17,18).
What are the key properties of 3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide?
3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide has a molecular weight of 306.37 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide is sourced from PubChem (CID 44528665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).