[4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine

C13H13BrN2O2S — CID 64697399

IUPAC[4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
SMILESNCc1cc(CS(=O)(=O)c2ccccc2Br)ccn1
InChIInChI=1S/C13H13BrN2O2S/c14-12-3-1-2-4-13(12)19(17,18)9-10-5-6-16-11(7-10)8-15/h1-7H,8-9,15H2
InChIKeyKXBRJVNZHXCZAQ-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.28
Rot. Bonds4

About [4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine

[4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine (PubChem CID 64697399) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is [4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
PubChem CID64697399
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name[4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
SMILESNCc1cc(CS(=O)(=O)c2ccccc2Br)ccn1
InChIInChI=1S/C13H13BrN2O2S/c14-12-3-1-2-4-13(12)19(17,18)9-10-5-6-16-11(7-10)8-15/h1-7H,8-9,15H2
InChIKeyKXBRJVNZHXCZAQ-UHFFFAOYSA-N
XLogP2.28
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-bromophenyl)sulfonylmethyl]aniline
CID 43382276
[4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64698793
[4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine
CID 167386346
[4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64697151
[4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 63887682
[4-[(2-bromophenyl)sulfinylmethyl]-2-pyridinyl]methanamine
CID 81328757
[4-(2-bromophenyl)-2-pyridinyl]methanamine
CID 82379970
4-[(2-bromophenyl)sulfonylmethyl]benzoic acid
CID 43090958
1-bromo-2-(chloromethylsulfonyl)benzene
CID 13279454
1-(amino-methylidene-oxo-λ6-sulfanyl)-2-bromobenzene
CID 91226081
[4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine
CID 81328495
1-bromo-2-propylsulfonylbenzene
CID 54596100

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine (CID 64697399) is [4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine is NCc1cc(CS(=O)(=O)c2ccccc2Br)ccn1.
What is the InChIKey of [4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
The InChIKey is KXBRJVNZHXCZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c14-12-3-1-2-4-13(12)19(17,18)9-10-5-6-16-11(7-10)8-15/h1-7H,8-9,15H2.
What are the key properties of [4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
[4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine has a molecular weight of 341.23 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 64697399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).