1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine

C16H16ClF2NS — CID 82909676

IUPAC1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccc(Cl)cc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H16ClF2NS/c1-20-13(8-11-2-7-15(18)16(19)9-11)10-21-14-5-3-12(17)4-6-14/h2-7,9,13,20H,8,10H2,1H3
InChIKeyNVVCSOFGLUOCAQ-UHFFFAOYSA-N
MW327.83 g/mol
LogP4.54
Rot. Bonds6

About 1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine

1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine (PubChem CID 82909676) has the molecular formula C16H16ClF2NS and a molecular weight of 327.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine
PubChem CID82909676
Molecular FormulaC16H16ClF2NS
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Name1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccc(Cl)cc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H16ClF2NS/c1-20-13(8-11-2-7-15(18)16(19)9-11)10-21-14-5-3-12(17)4-6-14/h2-7,9,13,20H,8,10H2,1H3
InChIKeyNVVCSOFGLUOCAQ-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-difluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 82910565
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 107884855
1-(4-chlorophenyl)sulfanyl-3-(3,5-difluorophenyl)-N-methylpropan-2-amine
CID 105406467
1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 103039975
1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66146432
1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 82923071
1-(3-chloro-4-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 103040177
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142128
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
1-(4-chloro-3-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 107884766
[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 103043949
1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 66072440

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine (CID 82909676) is 1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine is CNC(CSc1ccc(Cl)cc1)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine?
The InChIKey is NVVCSOFGLUOCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NS/c1-20-13(8-11-2-7-15(18)16(19)9-11)10-21-14-5-3-12(17)4-6-14/h2-7,9,13,20H,8,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine?
1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine has a molecular weight of 327.83 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 82909676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).