[5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine

C13H11BrClNS — CID 114893814

IUPAC[5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine
SMILESNCc1cc(Br)ccc1Sc1ccccc1Cl
InChIInChI=1S/C13H11BrClNS/c14-10-5-6-12(9(7-10)8-16)17-13-4-2-1-3-11(13)15/h1-7H,8,16H2
InChIKeyFVJOKLUKZRQRHU-UHFFFAOYSA-N
MW328.66 g/mol
LogP4.71
Rot. Bonds3

About [5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine

[5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine (PubChem CID 114893814) has the molecular formula C13H11BrClNS and a molecular weight of 328.66 g/mol. Its IUPAC name is [5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine
PubChem CID114893814
Molecular FormulaC13H11BrClNS
Molecular Weight328.66 g/mol
Exact Mass326.95
IUPAC Name[5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine
SMILESNCc1cc(Br)ccc1Sc1ccccc1Cl
InChIInChI=1S/C13H11BrClNS/c14-10-5-6-12(9(7-10)8-16)17-13-4-2-1-3-11(13)15/h1-7H,8,16H2
InChIKeyFVJOKLUKZRQRHU-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.66
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-2-(3,4-dichlorophenyl)sulfanylphenyl]methanamine
CID 114893865
[2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine
CID 107931418
5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 114893506
[5-bromo-2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 114893794
[5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 114893834
N-[1-[4-bromo-2-(2-chlorophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 82955742
[5-bromo-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
CID 114893842
[4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine
CID 63807558
[2-(2-amino-4-bromophenyl)sulfanylphenyl]methyl-dimethylselanium
CID 154066792
[1-(4-bromo-2-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237678
[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
CID 114889959
2-(2-chlorophenyl)sulfanylphenol
CID 20513469

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine?
The IUPAC name of [5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine (CID 114893814) is [5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine is NCc1cc(Br)ccc1Sc1ccccc1Cl.
What is the InChIKey of [5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine?
The InChIKey is FVJOKLUKZRQRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNS/c14-10-5-6-12(9(7-10)8-16)17-13-4-2-1-3-11(13)15/h1-7H,8,16H2.
What are the key properties of [5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine?
[5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine has a molecular weight of 328.66 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 114893814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).