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

C16H16Cl2FNS — CID 115983844

IUPAC1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1cccc(Cl)c1)Cc1cccc(F)c1Cl
InChIInChI=1S/C16H16Cl2FNS/c1-20-13(8-11-4-2-7-15(19)16(11)18)10-21-14-6-3-5-12(17)9-14/h2-7,9,13,20H,8,10H2,1H3
InChIKeyINRCXXOYVLLKJQ-UHFFFAOYSA-N
MW344.28 g/mol
LogP5.06
Rot. Bonds6

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

1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine (PubChem CID 115983844) has the molecular formula C16H16Cl2FNS and a molecular weight of 344.28 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
PubChem CID115983844
Molecular FormulaC16H16Cl2FNS
Molecular Weight344.28 g/mol
Exact Mass343.04
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1cccc(Cl)c1)Cc1cccc(F)c1Cl
InChIInChI=1S/C16H16Cl2FNS/c1-20-13(8-11-4-2-7-15(19)16(11)18)10-21-14-6-3-5-12(17)9-14/h2-7,9,13,20H,8,10H2,1H3
InChIKeyINRCXXOYVLLKJQ-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-(3-chlorophenyl)sulfanyl-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 66145791
1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114932219
1-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66147469
1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66146432
1-(3-chlorophenyl)sulfanyl-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
CID 66145796
[1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105237086
1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088346
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 102857682
1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 102857633
1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 107308752
1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine
CID 83176064
1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
CID 112653598

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine (CID 115983844) is 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine is CNC(CSc1cccc(Cl)c1)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
The InChIKey is INRCXXOYVLLKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNS/c1-20-13(8-11-4-2-7-15(19)16(11)18)10-21-14-6-3-5-12(17)9-14/h2-7,9,13,20H,8,10H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
1-(2-chloro-3-fluorophenyl)-3-(3-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-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 115983844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).