N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

C18H15N3O3S — CID 75415291

IUPACN-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESO=S(=O)(CCNc1ncnc2c1oc1ccccc12)c1ccccc1
InChIInChI=1S/C18H15N3O3S/c22-25(23,13-6-2-1-3-7-13)11-10-19-18-17-16(20-12-21-18)14-8-4-5-9-15(14)24-17/h1-9,12H,10-11H2,(H,19,20,21)
InChIKeyOASUCLOHVFSZEH-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 75415291) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID75415291
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESO=S(=O)(CCNc1ncnc2c1oc1ccccc12)c1ccccc1
InChIInChI=1S/C18H15N3O3S/c22-25(23,13-6-2-1-3-7-13)11-10-19-18-17-16(20-12-21-18)14-8-4-5-9-15(14)24-17/h1-9,12H,10-11H2,(H,19,20,21)
InChIKeyOASUCLOHVFSZEH-UHFFFAOYSA-N
XLogP3.26
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 75415291) is N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is O=S(=O)(CCNc1ncnc2c1oc1ccccc12)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is OASUCLOHVFSZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-25(23,13-6-2-1-3-7-13)11-10-19-18-17-16(20-12-21-18)14-8-4-5-9-15(14)24-17/h1-9,12H,10-11H2,(H,19,20,21).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 353.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 75415291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).