4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide

C21H18FN5O3S — CID 139346188

IUPAC4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cc1
InChIInChI=1S/C21H18FN5O3S/c22-18-5-6-20-15(7-8-30-20)17(18)10-26-21-25-9-16(19-11-24-12-27(19)21)13-1-3-14(4-2-13)31(23,28)29/h1-6,9,11-12H,7-8,10H2,(H,25,26)(H2,23,28,29)
InChIKeyFMKWCZINDLWNKL-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.73
Rot. Bonds5

About 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide

4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide (PubChem CID 139346188) has the molecular formula C21H18FN5O3S and a molecular weight of 439.47 g/mol. Its IUPAC name is 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide
PubChem CID139346188
Molecular FormulaC21H18FN5O3S
Molecular Weight439.47 g/mol
Exact Mass439.11
IUPAC Name4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cc1
InChIInChI=1S/C21H18FN5O3S/c22-18-5-6-20-15(7-8-30-20)17(18)10-26-21-25-9-16(19-11-24-12-27(19)21)13-1-3-14(4-2-13)31(23,28)29/h1-6,9,11-12H,7-8,10H2,(H,25,26)(H2,23,28,29)
InChIKeyFMKWCZINDLWNKL-UHFFFAOYSA-N
XLogP2.73
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide (CID 139346188) is 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cc1.
What is the InChIKey of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide?
The InChIKey is FMKWCZINDLWNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3S/c22-18-5-6-20-15(7-8-30-20)17(18)10-26-21-25-9-16(19-11-24-12-27(19)21)13-1-3-14(4-2-13)31(23,28)29/h1-6,9,11-12H,7-8,10H2,(H,25,26)(H2,23,28,29).
What are the key properties of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide?
4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide has a molecular weight of 439.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]benzenesulfonamide is sourced from PubChem (CID 139346188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).