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

C13H11ClFNS — CID 55180213

IUPAC[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine
SMILESNCc1ccc(Cl)cc1Sc1ccc(F)cc1
InChIInChI=1S/C13H11ClFNS/c14-10-2-1-9(8-16)13(7-10)17-12-5-3-11(15)4-6-12/h1-7H,8,16H2
InChIKeyPAWHCWBRZPAVAY-UHFFFAOYSA-N
MW267.76 g/mol
LogP4.09
Rot. Bonds3

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

[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine (PubChem CID 55180213) has the molecular formula C13H11ClFNS and a molecular weight of 267.76 g/mol. Its IUPAC name is [4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine
PubChem CID55180213
Molecular FormulaC13H11ClFNS
Molecular Weight267.76 g/mol
Exact Mass267.03
IUPAC Name[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine
SMILESNCc1ccc(Cl)cc1Sc1ccc(F)cc1
InChIInChI=1S/C13H11ClFNS/c14-10-2-1-9(8-16)13(7-10)17-12-5-3-11(15)4-6-12/h1-7H,8,16H2
InChIKeyPAWHCWBRZPAVAY-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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Related Compounds

(4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine
CID 63404639
N-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
CID 114864036
2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 114065045
[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]methanamine
CID 63089190
[2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine
CID 63674010
(4-chloro-2-pyrimidin-4-ylsulfanylphenyl)methanamine
CID 63696942
[2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine
CID 55154318
4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91656407
[4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine
CID 63807558
2-[4-chloro-2-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 114866036
[4-chloro-2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63082490
[2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine
CID 81303475

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine?
The IUPAC name of [4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine (CID 55180213) is [4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine is NCc1ccc(Cl)cc1Sc1ccc(F)cc1.
What is the InChIKey of [4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine?
The InChIKey is PAWHCWBRZPAVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNS/c14-10-2-1-9(8-16)13(7-10)17-12-5-3-11(15)4-6-12/h1-7H,8,16H2.
What are the key properties of [4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine?
[4-chloro-2-(4-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 [4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 55180213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).