[2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine

C13H11ClFNS — CID 63674010

IUPAC[2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1Sc1cccc(Cl)c1
InChIInChI=1S/C13H11ClFNS/c14-10-2-1-3-12(7-10)17-13-5-4-11(15)6-9(13)8-16/h1-7H,8,16H2
InChIKeyDFWSTZVCGJXNKO-UHFFFAOYSA-N
MW267.76 g/mol
LogP4.09
Rot. Bonds3

About [2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine

[2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine (PubChem CID 63674010) has the molecular formula C13H11ClFNS and a molecular weight of 267.76 g/mol. Its IUPAC name is [2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine
PubChem CID63674010
Molecular FormulaC13H11ClFNS
Molecular Weight267.76 g/mol
Exact Mass267.03
IUPAC Name[2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1Sc1cccc(Cl)c1
InChIInChI=1S/C13H11ClFNS/c14-10-2-1-3-12(7-10)17-13-5-4-11(15)6-9(13)8-16/h1-7H,8,16H2
InChIKeyDFWSTZVCGJXNKO-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-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 62647190
[4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine
CID 63807558
2-(3-chlorophenyl)sulfanyl-5-fluorobenzonitrile
CID 55233121
[5-chloro-2-(3-chlorophenyl)sulfanylphenyl]methanol
CID 114865566
2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid
CID 63673346
[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine
CID 55180213
5-chloro-2-(3-chlorophenyl)sulfanylaniline
CID 3026812
[5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol
CID 114062107
1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63817979
[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine
CID 107752002
2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 63819955
(5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine
CID 63673498

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine?
The IUPAC name of [2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine (CID 63674010) is [2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine is NCc1cc(F)ccc1Sc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine?
The InChIKey is DFWSTZVCGJXNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNS/c14-10-2-1-3-12(7-10)17-13-5-4-11(15)6-9(13)8-16/h1-7H,8,16H2.
What are the key properties of [2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine?
[2-(3-chlorophenyl)sulfanyl-5-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 [2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine is sourced from PubChem (CID 63674010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).