[2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine

C12H15ClFNO2S — CID 64696587

IUPAC[2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine
SMILESNCC1CCCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNO2S/c13-10-6-9(4-5-11(10)14)18(16,17)12-3-1-2-8(12)7-15/h4-6,8,12H,1-3,7,15H2
InChIKeyLJNGKWXPYOAKEQ-UHFFFAOYSA-N
MW291.77 g/mol
LogP2.38
Rot. Bonds3

About [2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine

[2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine (PubChem CID 64696587) has the molecular formula C12H15ClFNO2S and a molecular weight of 291.77 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine
PubChem CID64696587
Molecular FormulaC12H15ClFNO2S
Molecular Weight291.77 g/mol
Exact Mass291.05
IUPAC Name[2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine
SMILESNCC1CCCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNO2S/c13-10-6-9(4-5-11(10)14)18(16,17)12-3-1-2-8(12)7-15/h4-6,8,12H,1-3,7,15H2
InChIKeyLJNGKWXPYOAKEQ-UHFFFAOYSA-N
XLogP2.38
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine (CID 64696587) is [2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine is NCC1CCCC1S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine?
The InChIKey is LJNGKWXPYOAKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2S/c13-10-6-9(4-5-11(10)14)18(16,17)12-3-1-2-8(12)7-15/h4-6,8,12H,1-3,7,15H2.
What are the key properties of [2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine?
[2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine has a molecular weight of 291.77 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)sulfonylcyclopentyl]methanamine is sourced from PubChem (CID 64696587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).