[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine

C13H11BrFNS — CID 63674345

IUPAC[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1Sc1cccc(Br)c1
InChIInChI=1S/C13H11BrFNS/c14-10-2-1-3-12(7-10)17-13-5-4-11(15)6-9(13)8-16/h1-7H,8,16H2
InChIKeyKSFGUMCZYFXJJU-UHFFFAOYSA-N
MW312.21 g/mol
LogP4.20
Rot. Bonds3

About [2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine

[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine (PubChem CID 63674345) has the molecular formula C13H11BrFNS and a molecular weight of 312.21 g/mol. Its IUPAC name is [2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine
PubChem CID63674345
Molecular FormulaC13H11BrFNS
Molecular Weight312.21 g/mol
Exact Mass310.98
IUPAC Name[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1Sc1cccc(Br)c1
InChIInChI=1S/C13H11BrFNS/c14-10-2-1-3-12(7-10)17-13-5-4-11(15)6-9(13)8-16/h1-7H,8,16H2
InChIKeyKSFGUMCZYFXJJU-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine?
The IUPAC name of [2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine (CID 63674345) is [2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine is NCc1cc(F)ccc1Sc1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine?
The InChIKey is KSFGUMCZYFXJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNS/c14-10-2-1-3-12(7-10)17-13-5-4-11(15)6-9(13)8-16/h1-7H,8,16H2.
What are the key properties of [2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine?
[2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine has a molecular weight of 312.21 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)sulfanyl-5-fluorophenyl]methanamine is sourced from PubChem (CID 63674345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).