3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide

C22H16N4O2S2 — CID 53245699

IUPAC3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(-c5ccccc5)cc4c3n2)c1
InChIInChI=1S/C22H16N4O2S2/c23-30(27,28)17-8-4-7-16(11-17)25-22-24-13-15-9-10-19-18(21(15)26-22)12-20(29-19)14-5-2-1-3-6-14/h1-13H,(H2,23,27,28)(H,24,25,26)
InChIKeyZSSGEBJSMMYEMX-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.90
Rot. Bonds4

About 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide

3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide (PubChem CID 53245699) has the molecular formula C22H16N4O2S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide
PubChem CID53245699
Molecular FormulaC22H16N4O2S2
Molecular Weight432.53 g/mol
Exact Mass432.07
IUPAC Name3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(-c5ccccc5)cc4c3n2)c1
InChIInChI=1S/C22H16N4O2S2/c23-30(27,28)17-8-4-7-16(11-17)25-22-24-13-15-9-10-19-18(21(15)26-22)12-20(29-19)14-5-2-1-3-6-14/h1-13H,(H2,23,27,28)(H,24,25,26)
InChIKeyZSSGEBJSMMYEMX-UHFFFAOYSA-N
XLogP4.90
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide (CID 53245699) is 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(-c5ccccc5)cc4c3n2)c1.
What is the InChIKey of 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide?
The InChIKey is ZSSGEBJSMMYEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2S2/c23-30(27,28)17-8-4-7-16(11-17)25-22-24-13-15-9-10-19-18(21(15)26-22)12-20(29-19)14-5-2-1-3-6-14/h1-13H,(H2,23,27,28)(H,24,25,26).
What are the key properties of 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide?
3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide has a molecular weight of 432.53 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 53245699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).