N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide

C11H14FNO2S — CID 19365894

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCc2cc(F)ccc21
InChIInChI=1S/C11H14FNO2S/c1-2-16(14,15)13-11-6-3-8-7-9(12)4-5-10(8)11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKeyJCAFESZBTFIJHN-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.75
Rot. Bonds3

About N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide (PubChem CID 19365894) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide
PubChem CID19365894
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCc2cc(F)ccc21
InChIInChI=1S/C11H14FNO2S/c1-2-16(14,15)13-11-6-3-8-7-9(12)4-5-10(8)11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKeyJCAFESZBTFIJHN-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide (CID 19365894) is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide is CCS(=O)(=O)NC1CCc2cc(F)ccc21.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide?
The InChIKey is JCAFESZBTFIJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-2-16(14,15)13-11-6-3-8-7-9(12)4-5-10(8)11/h4-5,7,11,13H,2-3,6H2,1H3.
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide?
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide has a molecular weight of 243.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide is sourced from PubChem (CID 19365894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).