1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide

C12H11BrN4O2S — CID 89362340

IUPAC1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide
SMILES[H]/N=C(/c1cc(Br)cnc1N)S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C12H11BrN4O2S/c13-8-6-10(11(14)16-7-8)12(15)20(18,19)17-9-4-2-1-3-5-9/h1-7,15,17H,(H2,14,16)/b15-12-
InChIKeyJAACJNZKQQNTLR-QINSGFPZSA-N
MW355.22 g/mol
LogP2.19
Rot. Bonds3

About 1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide

1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide (PubChem CID 89362340) has the molecular formula C12H11BrN4O2S and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide
PubChem CID89362340
Molecular FormulaC12H11BrN4O2S
Molecular Weight355.22 g/mol
Exact Mass353.98
IUPAC Name1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide
SMILES[H]/N=C(/c1cc(Br)cnc1N)S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C12H11BrN4O2S/c13-8-6-10(11(14)16-7-8)12(15)20(18,19)17-9-4-2-1-3-5-9/h1-7,15,17H,(H2,14,16)/b15-12-
InChIKeyJAACJNZKQQNTLR-QINSGFPZSA-N
XLogP2.19
TPSA108.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide?
The IUPAC name of 1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide (CID 89362340) is 1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide.
What is the SMILES notation for 1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide?
The canonical SMILES for 1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide is [H]/N=C(/c1cc(Br)cnc1N)S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide?
The InChIKey is JAACJNZKQQNTLR-QINSGFPZSA-N. The full InChI is InChI=1S/C12H11BrN4O2S/c13-8-6-10(11(14)16-7-8)12(15)20(18,19)17-9-4-2-1-3-5-9/h1-7,15,17H,(H2,14,16)/b15-12-.
What are the key properties of 1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide?
1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide has a molecular weight of 355.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide is sourced from PubChem (CID 89362340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).