5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide

C11H11ClN4O2S — CID 106084061

IUPAC5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNCc1ccc(Cl)c(S(=O)(=O)Nc2cccnn2)c1
InChIInChI=1S/C11H11ClN4O2S/c12-9-4-3-8(7-13)6-10(9)19(17,18)16-11-2-1-5-14-15-11/h1-6H,7,13H2,(H,15,16)
InChIKeyFPIJGSDQCULPHL-UHFFFAOYSA-N
MW298.75 g/mol
LogP1.39
Rot. Bonds4

About 5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide

5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 106084061) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.75 g/mol. Its IUPAC name is 5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID106084061
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.75 g/mol
Exact Mass298.03
IUPAC Name5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNCc1ccc(Cl)c(S(=O)(=O)Nc2cccnn2)c1
InChIInChI=1S/C11H11ClN4O2S/c12-9-4-3-8(7-13)6-10(9)19(17,18)16-11-2-1-5-14-15-11/h1-6H,7,13H2,(H,15,16)
InChIKeyFPIJGSDQCULPHL-UHFFFAOYSA-N
XLogP1.39
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide (CID 106084061) is 5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide is NCc1ccc(Cl)c(S(=O)(=O)Nc2cccnn2)c1.
What is the InChIKey of 5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is FPIJGSDQCULPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c12-9-4-3-8(7-13)6-10(9)19(17,18)16-11-2-1-5-14-15-11/h1-6H,7,13H2,(H,15,16).
What are the key properties of 5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide?
5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 298.75 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106084061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).