N-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide

C15H16FN3O3S — CID 95388311

IUPACN-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cc(F)c3c(c2)C[C@H](CN)O3)cn1
InChIInChI=1S/C15H16FN3O3S/c1-23(20,21)19-14-3-2-9(8-18-14)10-4-11-5-12(7-17)22-15(11)13(16)6-10/h2-4,6,8,12H,5,7,17H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyHTMJGUTZPVEBBY-GFCCVEGCSA-N
MW337.38 g/mol
LogP1.52
Rot. Bonds4

About N-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide

N-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 95388311) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide
PubChem CID95388311
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC NameN-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cc(F)c3c(c2)C[C@H](CN)O3)cn1
InChIInChI=1S/C15H16FN3O3S/c1-23(20,21)19-14-3-2-9(8-18-14)10-4-11-5-12(7-17)22-15(11)13(16)6-10/h2-4,6,8,12H,5,7,17H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyHTMJGUTZPVEBBY-GFCCVEGCSA-N
XLogP1.52
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide (CID 95388311) is N-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2cc(F)c3c(c2)C[C@H](CN)O3)cn1.
What is the InChIKey of N-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide?
The InChIKey is HTMJGUTZPVEBBY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-23(20,21)19-14-3-2-9(8-18-14)10-4-11-5-12(7-17)22-15(11)13(16)6-10/h2-4,6,8,12H,5,7,17H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of N-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide?
N-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide has a molecular weight of 337.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 95388311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).