4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide

C16H17N5O5S — CID 146166237

IUPAC4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc3c2COC3=O)cc1
InChIInChI=1S/C16H17N5O5S/c17-27(23,24)11-3-1-10(2-4-11)18-14-12-9-26-15(22)13(12)19-16(20-14)21-5-7-25-8-6-21/h1-4H,5-9H2,(H2,17,23,24)(H,18,19,20)
InChIKeySJCOPJVJWBIHQS-UHFFFAOYSA-N
MW391.41 g/mol
LogP0.37
Rot. Bonds4

About 4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide

4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide (PubChem CID 146166237) has the molecular formula C16H17N5O5S and a molecular weight of 391.41 g/mol. Its IUPAC name is 4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide
PubChem CID146166237
Molecular FormulaC16H17N5O5S
Molecular Weight391.41 g/mol
Exact Mass391.10
IUPAC Name4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc3c2COC3=O)cc1
InChIInChI=1S/C16H17N5O5S/c17-27(23,24)11-3-1-10(2-4-11)18-14-12-9-26-15(22)13(12)19-16(20-14)21-5-7-25-8-6-21/h1-4H,5-9H2,(H2,17,23,24)(H,18,19,20)
InChIKeySJCOPJVJWBIHQS-UHFFFAOYSA-N
XLogP0.37
TPSA136.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide (CID 146166237) is 4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc3c2COC3=O)cc1.
What is the InChIKey of 4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide?
The InChIKey is SJCOPJVJWBIHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O5S/c17-27(23,24)11-3-1-10(2-4-11)18-14-12-9-26-15(22)13(12)19-16(20-14)21-5-7-25-8-6-21/h1-4H,5-9H2,(H2,17,23,24)(H,18,19,20).
What are the key properties of 4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide?
4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide has a molecular weight of 391.41 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-morpholin-4-yl-7-oxo-5H-furo[3,4-d]pyrimidin-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 146166237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).