1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine

C16H16Cl2FNS — CID 103048819

IUPAC1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Cl)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H16Cl2FNS/c1-20-13(9-11-8-12(17)6-7-15(11)19)10-21-16-5-3-2-4-14(16)18/h2-8,13,20H,9-10H2,1H3
InChIKeyYELNEHYHDHUYHW-UHFFFAOYSA-N
MW344.28 g/mol
LogP5.06
Rot. Bonds6

About 1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine

1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine (PubChem CID 103048819) has the molecular formula C16H16Cl2FNS and a molecular weight of 344.28 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
PubChem CID103048819
Molecular FormulaC16H16Cl2FNS
Molecular Weight344.28 g/mol
Exact Mass343.04
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Cl)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H16Cl2FNS/c1-20-13(9-11-8-12(17)6-7-15(11)19)10-21-16-5-3-2-4-14(16)18/h2-8,13,20H,9-10H2,1H3
InChIKeyYELNEHYHDHUYHW-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.28
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66052512
1-(3-chlorophenyl)sulfanyl-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 66145791
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 66145628
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(2-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 66140357
1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine
CID 66139956
1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 79700055
[1-(2-chlorophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105237715
1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 66145246
1-(2-chlorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 66139977
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 102619034
1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
CID 66140167

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine (CID 103048819) is 1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine is CNC(CSc1ccccc1Cl)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
The InChIKey is YELNEHYHDHUYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNS/c1-20-13(9-11-8-12(17)6-7-15(11)19)10-21-16-5-3-2-4-14(16)18/h2-8,13,20H,9-10H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine has a molecular weight of 344.28 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 103048819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).