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

C10H12FNO2S — CID 47387785

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCc2cc(F)ccc21
InChIInChI=1S/C10H12FNO2S/c1-15(13,14)12-10-5-2-7-6-8(11)3-4-9(7)10/h3-4,6,10,12H,2,5H2,1H3
InChIKeyIUNRGFZKOLENCV-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.36
Rot. Bonds2

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

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanesulfonamide (PubChem CID 47387785) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanesulfonamide
PubChem CID47387785
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCc2cc(F)ccc21
InChIInChI=1S/C10H12FNO2S/c1-15(13,14)12-10-5-2-7-6-8(11)3-4-9(7)10/h3-4,6,10,12H,2,5H2,1H3
InChIKeyIUNRGFZKOLENCV-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.36
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)methanesulfonamide?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanesulfonamide (CID 47387785) is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanesulfonamide.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanesulfonamide?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanesulfonamide is CS(=O)(=O)NC1CCc2cc(F)ccc21.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanesulfonamide?
The InChIKey is IUNRGFZKOLENCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-15(13,14)12-10-5-2-7-6-8(11)3-4-9(7)10/h3-4,6,10,12H,2,5H2,1H3.
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanesulfonamide?
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanesulfonamide has a molecular weight of 229.28 g/mol, XLogP of 1.36, 2 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)methanesulfonamide is sourced from PubChem (CID 47387785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).