N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide

C14H20FNO3S — CID 71976660

IUPACN-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide
SMILESCCOc1cccc2c1CCC2NS(=O)(=O)CCCF
InChIInChI=1S/C14H20FNO3S/c1-2-19-14-6-3-5-11-12(14)7-8-13(11)16-20(17,18)10-4-9-15/h3,5-6,13,16H,2,4,7-10H2,1H3
InChIKeyIFDMJXROQFMIHU-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.35
Rot. Bonds7

About N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide

N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide (PubChem CID 71976660) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide
PubChem CID71976660
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide
SMILESCCOc1cccc2c1CCC2NS(=O)(=O)CCCF
InChIInChI=1S/C14H20FNO3S/c1-2-19-14-6-3-5-11-12(14)7-8-13(11)16-20(17,18)10-4-9-15/h3,5-6,13,16H,2,4,7-10H2,1H3
InChIKeyIFDMJXROQFMIHU-UHFFFAOYSA-N
XLogP2.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide (CID 71976660) is N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide is CCOc1cccc2c1CCC2NS(=O)(=O)CCCF.
What is the InChIKey of N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide?
The InChIKey is IFDMJXROQFMIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-2-19-14-6-3-5-11-12(14)7-8-13(11)16-20(17,18)10-4-9-15/h3,5-6,13,16H,2,4,7-10H2,1H3.
What are the key properties of N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide?
N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 71976660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).