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

C13H15ClN4O2S — CID 106084037

IUPAC2-chloro-5-(ethylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCCNCc1ccc(Cl)c(S(=O)(=O)Nc2cccnn2)c1
InChIInChI=1S/C13H15ClN4O2S/c1-2-15-9-10-5-6-11(14)12(8-10)21(19,20)18-13-4-3-7-16-17-13/h3-8,15H,2,9H2,1H3,(H,17,18)
InChIKeyBMUOWOASKFOCFK-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.04
Rot. Bonds6

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

2-chloro-5-(ethylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 106084037) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-chloro-5-(ethylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(ethylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID106084037
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name2-chloro-5-(ethylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCCNCc1ccc(Cl)c(S(=O)(=O)Nc2cccnn2)c1
InChIInChI=1S/C13H15ClN4O2S/c1-2-15-9-10-5-6-11(14)12(8-10)21(19,20)18-13-4-3-7-16-17-13/h3-8,15H,2,9H2,1H3,(H,17,18)
InChIKeyBMUOWOASKFOCFK-UHFFFAOYSA-N
XLogP2.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(ethylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-(ethylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide (CID 106084037) is 2-chloro-5-(ethylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(ethylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-(ethylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide is CCNCc1ccc(Cl)c(S(=O)(=O)Nc2cccnn2)c1.
What is the InChIKey of 2-chloro-5-(ethylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is BMUOWOASKFOCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-2-15-9-10-5-6-11(14)12(8-10)21(19,20)18-13-4-3-7-16-17-13/h3-8,15H,2,9H2,1H3,(H,17,18).
What are the key properties of 2-chloro-5-(ethylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
2-chloro-5-(ethylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(ethylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106084037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).