N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C13H16FNO3S — CID 126857791

IUPACN-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NC1CCCC1F)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H16FNO3S/c14-11-2-1-3-12(11)15-19(16,17)10-4-5-13-9(8-10)6-7-18-13/h4-5,8,11-12,15H,1-3,6-7H2
InChIKeyMLVXRVYHOJEQNP-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.79
Rot. Bonds3

About N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 126857791) has the molecular formula C13H16FNO3S and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID126857791
Molecular FormulaC13H16FNO3S
Molecular Weight285.34 g/mol
Exact Mass285.08
IUPAC NameN-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NC1CCCC1F)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H16FNO3S/c14-11-2-1-3-12(11)15-19(16,17)10-4-5-13-9(8-10)6-7-18-13/h4-5,8,11-12,15H,1-3,6-7H2
InChIKeyMLVXRVYHOJEQNP-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43389822
N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 49457204
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 11880721
N-[(3R,4S)-1-(2-hydroxyacetyl)-4-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 169415587
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129005271
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 120722266
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807417
N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119987288
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 126857791) is N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(NC1CCCC1F)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is MLVXRVYHOJEQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3S/c14-11-2-1-3-12(11)15-19(16,17)10-4-5-13-9(8-10)6-7-18-13/h4-5,8,11-12,15H,1-3,6-7H2.
What are the key properties of N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 285.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 126857791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).