2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide

C11H15FN2O2S — CID 83067155

IUPAC2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CCc2c(F)cccc21
InChIInChI=1S/C11H15FN2O2S/c12-10-3-1-2-9-8(10)4-5-11(9)14-6-7-17(13,15)16/h1-3,11,14H,4-7H2,(H2,13,15,16)
InChIKeyPGDKQUQVENRKAL-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.69
Rot. Bonds4

About 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide

2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide (PubChem CID 83067155) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
PubChem CID83067155
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CCc2c(F)cccc21
InChIInChI=1S/C11H15FN2O2S/c12-10-3-1-2-9-8(10)4-5-11(9)14-6-7-17(13,15)16/h1-3,11,14H,4-7H2,(H2,13,15,16)
InChIKeyPGDKQUQVENRKAL-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79483582
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 83209258
4-fluoro-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 83065403
4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine
CID 115496239
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-3-ol
CID 113262785
N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79484036
4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 79484089
4-fluoro-N-[2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103721632
3-[2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol
CID 103781950
4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 102904112
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide (CID 83067155) is 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide is NS(=O)(=O)CCNC1CCc2c(F)cccc21.
What is the InChIKey of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide?
The InChIKey is PGDKQUQVENRKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c12-10-3-1-2-9-8(10)4-5-11(9)14-6-7-17(13,15)16/h1-3,11,14H,4-7H2,(H2,13,15,16).
What are the key properties of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide?
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide has a molecular weight of 258.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide is sourced from PubChem (CID 83067155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).