[6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine

C17H14FNO2S — CID 24800955

IUPAC[6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine
SMILESNCc1cccc2cc(S(=O)(=O)c3cccc(F)c3)ccc12
InChIInChI=1S/C17H14FNO2S/c18-14-5-2-6-15(10-14)22(20,21)16-7-8-17-12(9-16)3-1-4-13(17)11-19/h1-10H,11,19H2
InChIKeyITLCTCLRJQBCQA-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.27
Rot. Bonds3

About [6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine

[6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine (PubChem CID 24800955) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is [6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine
PubChem CID24800955
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name[6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine
SMILESNCc1cccc2cc(S(=O)(=O)c3cccc(F)c3)ccc12
InChIInChI=1S/C17H14FNO2S/c18-14-5-2-6-15(10-14)22(20,21)16-7-8-17-12(9-16)3-1-4-13(17)11-19/h1-10H,11,19H2
InChIKeyITLCTCLRJQBCQA-UHFFFAOYSA-N
XLogP3.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine?
The IUPAC name of [6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine (CID 24800955) is [6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine.
What is the SMILES notation for [6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine?
The canonical SMILES for [6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine is NCc1cccc2cc(S(=O)(=O)c3cccc(F)c3)ccc12.
What is the InChIKey of [6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine?
The InChIKey is ITLCTCLRJQBCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c18-14-5-2-6-15(10-14)22(20,21)16-7-8-17-12(9-16)3-1-4-13(17)11-19/h1-10H,11,19H2.
What are the key properties of [6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine?
[6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine has a molecular weight of 315.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine is sourced from PubChem (CID 24800955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).