2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide

C7H10ClN3O2S — CID 107652634

IUPAC2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCc1cccnn1
InChIInChI=1S/C7H10ClN3O2S/c8-3-5-14(12,13)10-6-7-2-1-4-9-11-7/h1-2,4,10H,3,5-6H2
InChIKeyBOOBLRLYQNEFPO-UHFFFAOYSA-N
MW235.70 g/mol
LogP0.13
Rot. Bonds5

About 2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide

2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide (PubChem CID 107652634) has the molecular formula C7H10ClN3O2S and a molecular weight of 235.70 g/mol. Its IUPAC name is 2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide
PubChem CID107652634
Molecular FormulaC7H10ClN3O2S
Molecular Weight235.70 g/mol
Exact Mass235.02
IUPAC Name2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCc1cccnn1
InChIInChI=1S/C7H10ClN3O2S/c8-3-5-14(12,13)10-6-7-2-1-4-9-11-7/h1-2,4,10H,3,5-6H2
InChIKeyBOOBLRLYQNEFPO-UHFFFAOYSA-N
XLogP0.13
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide
CID 106894709
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106897420
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106833700
3-(pyridazin-3-ylmethylsulfamoylmethyl)benzoic acid
CID 106894941
2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895585
2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide
CID 107651745
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
N-(pyridazin-3-ylmethyl)formamide
CID 23498776
2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 106833703
6-oxo-N-(pyridazin-3-ylmethyl)-1H-pyridine-3-sulfonamide
CID 106897421
4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894707

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide (CID 107652634) is 2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide is O=S(=O)(CCCl)NCc1cccnn1.
What is the InChIKey of 2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide?
The InChIKey is BOOBLRLYQNEFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S/c8-3-5-14(12,13)10-6-7-2-1-4-9-11-7/h1-2,4,10H,3,5-6H2.
What are the key properties of 2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide?
2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide has a molecular weight of 235.70 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 107652634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).