[2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine

C13H11ClFNS — CID 55154318

IUPAC[2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine
SMILESNCc1ccc(Sc2ccccc2F)cc1Cl
InChIInChI=1S/C13H11ClFNS/c14-11-7-10(6-5-9(11)8-16)17-13-4-2-1-3-12(13)15/h1-7H,8,16H2
InChIKeyKILOEBSCTKPEGK-UHFFFAOYSA-N
MW267.76 g/mol
LogP4.09
Rot. Bonds3

About [2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine

[2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine (PubChem CID 55154318) has the molecular formula C13H11ClFNS and a molecular weight of 267.76 g/mol. Its IUPAC name is [2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine
PubChem CID55154318
Molecular FormulaC13H11ClFNS
Molecular Weight267.76 g/mol
Exact Mass267.03
IUPAC Name[2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine
SMILESNCc1ccc(Sc2ccccc2F)cc1Cl
InChIInChI=1S/C13H11ClFNS/c14-11-7-10(6-5-9(11)8-16)17-13-4-2-1-3-12(13)15/h1-7H,8,16H2
InChIKeyKILOEBSCTKPEGK-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine?
The IUPAC name of [2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine (CID 55154318) is [2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine is NCc1ccc(Sc2ccccc2F)cc1Cl.
What is the InChIKey of [2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine?
The InChIKey is KILOEBSCTKPEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNS/c14-11-7-10(6-5-9(11)8-16)17-13-4-2-1-3-12(13)15/h1-7H,8,16H2.
What are the key properties of [2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine?
[2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine has a molecular weight of 267.76 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 55154318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).