3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine

C15H14FNO3S — CID 64645343

IUPAC3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine
SMILESNC1c2ccccc2OCC1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H14FNO3S/c16-11-6-2-4-8-13(11)21(18,19)14-9-20-12-7-3-1-5-10(12)15(14)17/h1-8,14-15H,9,17H2
InChIKeyYTSCGKOUWCOUML-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.06
Rot. Bonds2

About 3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine

3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 64645343) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID64645343
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine
SMILESNC1c2ccccc2OCC1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H14FNO3S/c16-11-6-2-4-8-13(11)21(18,19)14-9-20-12-7-3-1-5-10(12)15(14)17/h1-8,14-15H,9,17H2
InChIKeyYTSCGKOUWCOUML-UHFFFAOYSA-N
XLogP2.06
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine (CID 64645343) is 3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine is NC1c2ccccc2OCC1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YTSCGKOUWCOUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c16-11-6-2-4-8-13(11)21(18,19)14-9-20-12-7-3-1-5-10(12)15(14)17/h1-8,14-15H,9,17H2.
What are the key properties of 3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine?
3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 307.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 64645343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).