N-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine

C12H10ClN5O3S — CID 123962345

IUPACN-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine
SMILESCN(O)c1ccccc1S(=O)(=O)n1cnc2c(Cl)ncnc21
InChIInChI=1S/C12H10ClN5O3S/c1-17(19)8-4-2-3-5-9(8)22(20,21)18-7-16-10-11(13)14-6-15-12(10)18/h2-7,19H,1H3
InChIKeyUKKHYGUMHKIDDL-UHFFFAOYSA-N
MW339.76 g/mol
LogP1.54
Rot. Bonds3

About N-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine

N-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine (PubChem CID 123962345) has the molecular formula C12H10ClN5O3S and a molecular weight of 339.76 g/mol. Its IUPAC name is N-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine
PubChem CID123962345
Molecular FormulaC12H10ClN5O3S
Molecular Weight339.76 g/mol
Exact Mass339.02
IUPAC NameN-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine
SMILESCN(O)c1ccccc1S(=O)(=O)n1cnc2c(Cl)ncnc21
InChIInChI=1S/C12H10ClN5O3S/c1-17(19)8-4-2-3-5-9(8)22(20,21)18-7-16-10-11(13)14-6-15-12(10)18/h2-7,19H,1H3
InChIKeyUKKHYGUMHKIDDL-UHFFFAOYSA-N
XLogP1.54
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine?
The IUPAC name of N-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine (CID 123962345) is N-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine?
The canonical SMILES for N-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine is CN(O)c1ccccc1S(=O)(=O)n1cnc2c(Cl)ncnc21.
What is the InChIKey of N-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine?
The InChIKey is UKKHYGUMHKIDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O3S/c1-17(19)8-4-2-3-5-9(8)22(20,21)18-7-16-10-11(13)14-6-15-12(10)18/h2-7,19H,1H3.
What are the key properties of N-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine?
N-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine has a molecular weight of 339.76 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine is sourced from PubChem (CID 123962345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).