N-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine

C16H16FNO3S — CID 58707278

IUPACN-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCS(=O)(=O)c1ccc(F)cc1NC1CCOc2ccccc21
InChIInChI=1S/C16H16FNO3S/c1-22(19,20)16-7-6-11(17)10-14(16)18-13-8-9-21-15-5-3-2-4-12(13)15/h2-7,10,13,18H,8-9H2,1H3
InChIKeyGRFXGWIUMHDDAR-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.16
Rot. Bonds3

About N-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine

N-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 58707278) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is N-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID58707278
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC NameN-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCS(=O)(=O)c1ccc(F)cc1NC1CCOc2ccccc21
InChIInChI=1S/C16H16FNO3S/c1-22(19,20)16-7-6-11(17)10-14(16)18-13-8-9-21-15-5-3-2-4-12(13)15/h2-7,10,13,18H,8-9H2,1H3
InChIKeyGRFXGWIUMHDDAR-UHFFFAOYSA-N
XLogP3.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 58707278) is N-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine is CS(=O)(=O)c1ccc(F)cc1NC1CCOc2ccccc21.
What is the InChIKey of N-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is GRFXGWIUMHDDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-22(19,20)16-7-6-11(17)10-14(16)18-13-8-9-21-15-5-3-2-4-12(13)15/h2-7,10,13,18H,8-9H2,1H3.
What are the key properties of N-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine?
N-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 321.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylsulfonylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 58707278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).