4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide

C16H14N4O2S2 — CID 46890319

IUPAC4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccsc2CC3)cc1
InChIInChI=1S/C16H14N4O2S2/c17-24(21,22)12-4-2-11(3-5-12)19-16-18-9-10-1-6-14-13(7-8-23-14)15(10)20-16/h2-5,7-9H,1,6H2,(H2,17,21,22)(H,18,19,20)
InChIKeyMTDWGYRUUAGIEQ-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.69
Rot. Bonds3

About 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide

4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide (PubChem CID 46890319) has the molecular formula C16H14N4O2S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide
PubChem CID46890319
Molecular FormulaC16H14N4O2S2
Molecular Weight358.45 g/mol
Exact Mass358.06
IUPAC Name4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccsc2CC3)cc1
InChIInChI=1S/C16H14N4O2S2/c17-24(21,22)12-4-2-11(3-5-12)19-16-18-9-10-1-6-14-13(7-8-23-14)15(10)20-16/h2-5,7-9H,1,6H2,(H2,17,21,22)(H,18,19,20)
InChIKeyMTDWGYRUUAGIEQ-UHFFFAOYSA-N
XLogP2.69
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide?
The IUPAC name of 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide (CID 46890319) is 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide?
The canonical SMILES for 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccsc2CC3)cc1.
What is the InChIKey of 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide?
The InChIKey is MTDWGYRUUAGIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S2/c17-24(21,22)12-4-2-11(3-5-12)19-16-18-9-10-1-6-14-13(7-8-23-14)15(10)20-16/h2-5,7-9H,1,6H2,(H2,17,21,22)(H,18,19,20).
What are the key properties of 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide?
4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide has a molecular weight of 358.45 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 46890319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).