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

C22H17FN6O3S — CID 155788155

IUPAC4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(N)(=O)=O)cc3)c2n1
InChIInChI=1S/C22H17FN6O3S/c23-19-5-6-20-16(7-8-32-20)18(19)11-27-22-26-10-17(21-28-14(9-24)12-29(21)22)13-1-3-15(4-2-13)33(25,30)31/h1-6,10,12H,7-8,11H2,(H,26,27)(H2,25,30,31)
InChIKeyHIYZTXIRVSPJIP-UHFFFAOYSA-N
MW464.48 g/mol
LogP2.60
Rot. Bonds5

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

4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide (PubChem CID 155788155) has the molecular formula C22H17FN6O3S and a molecular weight of 464.48 g/mol. Its IUPAC name is 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide
PubChem CID155788155
Molecular FormulaC22H17FN6O3S
Molecular Weight464.48 g/mol
Exact Mass464.11
IUPAC Name4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(N)(=O)=O)cc3)c2n1
InChIInChI=1S/C22H17FN6O3S/c23-19-5-6-20-16(7-8-32-20)18(19)11-27-22-26-10-17(21-28-14(9-24)12-29(21)22)13-1-3-15(4-2-13)33(25,30)31/h1-6,10,12H,7-8,11H2,(H,26,27)(H2,25,30,31)
InChIKeyHIYZTXIRVSPJIP-UHFFFAOYSA-N
XLogP2.60
TPSA135.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide?
The IUPAC name of 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide (CID 155788155) is 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(N)(=O)=O)cc3)c2n1.
What is the InChIKey of 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide?
The InChIKey is HIYZTXIRVSPJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O3S/c23-19-5-6-20-16(7-8-32-20)18(19)11-27-22-26-10-17(21-28-14(9-24)12-29(21)22)13-1-3-15(4-2-13)33(25,30)31/h1-6,10,12H,7-8,11H2,(H,26,27)(H2,25,30,31).
What are the key properties of 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide?
4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide has a molecular weight of 464.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide is sourced from PubChem (CID 155788155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).