(4-bromo-2-methylsulfonylphenyl)methanamine

C8H10BrNO2S — CID 22620001

IUPAC(4-bromo-2-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1cc(Br)ccc1CN
InChIInChI=1S/C8H10BrNO2S/c1-13(11,12)8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyWIKYHHQRQLPMNG-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.31
Rot. Bonds2

About (4-bromo-2-methylsulfonylphenyl)methanamine

(4-bromo-2-methylsulfonylphenyl)methanamine (PubChem CID 22620001) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is (4-bromo-2-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methylsulfonylphenyl)methanamine
PubChem CID22620001
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name(4-bromo-2-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1cc(Br)ccc1CN
InChIInChI=1S/C8H10BrNO2S/c1-13(11,12)8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyWIKYHHQRQLPMNG-UHFFFAOYSA-N
XLogP1.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylsulfonylphenyl)methanamine?
The IUPAC name of (4-bromo-2-methylsulfonylphenyl)methanamine (CID 22620001) is (4-bromo-2-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-methylsulfonylphenyl)methanamine?
The canonical SMILES for (4-bromo-2-methylsulfonylphenyl)methanamine is CS(=O)(=O)c1cc(Br)ccc1CN.
What is the InChIKey of (4-bromo-2-methylsulfonylphenyl)methanamine?
The InChIKey is WIKYHHQRQLPMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-13(11,12)8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3.
What are the key properties of (4-bromo-2-methylsulfonylphenyl)methanamine?
(4-bromo-2-methylsulfonylphenyl)methanamine has a molecular weight of 264.14 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 22620001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).