N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine

C16H14ClF2NS — CID 63808973

IUPACN-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(F)c1Sc1cccc(Cl)c1
InChIInChI=1S/C16H14ClF2NS/c17-11-2-1-3-13(8-11)21-16-14(18)6-10(7-15(16)19)9-20-12-4-5-12/h1-3,6-8,12,20H,4-5,9H2
InChIKeyQHIHWLMYHULXHV-UHFFFAOYSA-N
MW325.81 g/mol
LogP5.02
Rot. Bonds5

About N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine

N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine (PubChem CID 63808973) has the molecular formula C16H14ClF2NS and a molecular weight of 325.81 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine
PubChem CID63808973
Molecular FormulaC16H14ClF2NS
Molecular Weight325.81 g/mol
Exact Mass325.05
IUPAC NameN-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(F)c1Sc1cccc(Cl)c1
InChIInChI=1S/C16H14ClF2NS/c17-11-2-1-3-13(8-11)21-16-14(18)6-10(7-15(16)19)9-20-12-4-5-12/h1-3,6-8,12,20H,4-5,9H2
InChIKeyQHIHWLMYHULXHV-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.81
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine 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

N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine
CID 63807560
N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533350
N-[[3,5-difluoro-4-(oxetan-3-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 79333217
4-(3-chlorophenyl)sulfanyl-3,5-difluorobenzoic acid
CID 63537040
N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine
CID 106534211
N-[[3,5-difluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63806013
N-[[3-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
CID 106534221
N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 106533983
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]methyl]cyclopropanamine
CID 81160108
N-[[3-chloro-4-(3-methylphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81159406
N-[[3-[(5-bromo-2-fluorophenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66349269

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine (CID 63808973) is N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine is Fc1cc(CNC2CC2)cc(F)c1Sc1cccc(Cl)c1.
What is the InChIKey of N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine?
The InChIKey is QHIHWLMYHULXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NS/c17-11-2-1-3-13(8-11)21-16-14(18)6-10(7-15(16)19)9-20-12-4-5-12/h1-3,6-8,12,20H,4-5,9H2.
What are the key properties of N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine?
N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine has a molecular weight of 325.81 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63808973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).