[4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine

C13H11BrClNS — CID 63807558

IUPAC[4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine
SMILESNCc1ccc(Br)cc1Sc1cccc(Cl)c1
InChIInChI=1S/C13H11BrClNS/c14-10-5-4-9(8-16)13(6-10)17-12-3-1-2-11(15)7-12/h1-7H,8,16H2
InChIKeyAPRARUQXBOOHEC-UHFFFAOYSA-N
MW328.66 g/mol
LogP4.71
Rot. Bonds3

About [4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine

[4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine (PubChem CID 63807558) has the molecular formula C13H11BrClNS and a molecular weight of 328.66 g/mol. Its IUPAC name is [4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine
PubChem CID63807558
Molecular FormulaC13H11BrClNS
Molecular Weight328.66 g/mol
Exact Mass326.95
IUPAC Name[4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine
SMILESNCc1ccc(Br)cc1Sc1cccc(Cl)c1
InChIInChI=1S/C13H11BrClNS/c14-10-5-4-9(8-16)13(6-10)17-12-3-1-2-11(15)7-12/h1-7H,8,16H2
InChIKeyAPRARUQXBOOHEC-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-chlorophenyl)sulfanylphenyl]methanol
CID 114062107
2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine
CID 63819028
4-bromo-2-(3-chlorophenyl)sulfanylbenzaldehyde
CID 55238384
[2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine
CID 63674010
(4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine
CID 63404639
(4-bromo-2-ethylsulfanylphenyl)methanamine
CID 63805186
[5-bromo-2-(3,4-dichlorophenyl)sulfanylphenyl]methanamine
CID 114893865
1-[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 114866298
[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine
CID 55180213
4-bromo-1-[(3-chlorophenyl)sulfanylmethyl]-2-fluorobenzene
CID 63458635
[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 62647190
5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine
CID 63868684

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine?
The IUPAC name of [4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine (CID 63807558) is [4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine is NCc1ccc(Br)cc1Sc1cccc(Cl)c1.
What is the InChIKey of [4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine?
The InChIKey is APRARUQXBOOHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNS/c14-10-5-4-9(8-16)13(6-10)17-12-3-1-2-11(15)7-12/h1-7H,8,16H2.
What are the key properties of [4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine?
[4-bromo-2-(3-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 [4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 63807558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).