[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine

C13H11ClFNS — CID 62647190

IUPAC[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine
SMILESNCc1ccc(Sc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C13H11ClFNS/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-7H,8,16H2
InChIKeyNTIGYIUFLFVYSO-UHFFFAOYSA-N
MW267.76 g/mol
LogP4.09
Rot. Bonds3

About [4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine

[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine (PubChem CID 62647190) has the molecular formula C13H11ClFNS and a molecular weight of 267.76 g/mol. Its IUPAC name is [4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine
PubChem CID62647190
Molecular FormulaC13H11ClFNS
Molecular Weight267.76 g/mol
Exact Mass267.03
IUPAC Name[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine
SMILESNCc1ccc(Sc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C13H11ClFNS/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-7H,8,16H2
InChIKeyNTIGYIUFLFVYSO-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 [4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine?
The IUPAC name of [4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine (CID 62647190) is [4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine is NCc1ccc(Sc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of [4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine?
The InChIKey is NTIGYIUFLFVYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNS/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-7H,8,16H2.
What are the key properties of [4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine?
[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]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 [4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine is sourced from PubChem (CID 62647190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).