2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide

C12H15FN2O3S — CID 82166478

IUPAC2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESNCC1Cc2cc(F)cc(S(=O)(=O)NC3CC3)c2O1
InChIInChI=1S/C12H15FN2O3S/c13-8-3-7-4-10(6-14)18-12(7)11(5-8)19(16,17)15-9-1-2-9/h3,5,9-10,15H,1-2,4,6,14H2
InChIKeyTWUCTCRETWWPTR-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.53
Rot. Bonds4

About 2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide

2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 82166478) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide
PubChem CID82166478
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESNCC1Cc2cc(F)cc(S(=O)(=O)NC3CC3)c2O1
InChIInChI=1S/C12H15FN2O3S/c13-8-3-7-4-10(6-14)18-12(7)11(5-8)19(16,17)15-9-1-2-9/h3,5,9-10,15H,1-2,4,6,14H2
InChIKeyTWUCTCRETWWPTR-UHFFFAOYSA-N
XLogP0.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 82166478) is 2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide is NCC1Cc2cc(F)cc(S(=O)(=O)NC3CC3)c2O1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide?
The InChIKey is TWUCTCRETWWPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c13-8-3-7-4-10(6-14)18-12(7)11(5-8)19(16,17)15-9-1-2-9/h3,5,9-10,15H,1-2,4,6,14H2.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide?
2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 286.33 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 82166478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).