pyridazin-4-ylmethanesulfonyl chloride

C5H5ClN2O2S — CID 55266588

IUPACpyridazin-4-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccnnc1
InChIInChI=1S/C5H5ClN2O2S/c6-11(9,10)4-5-1-2-7-8-3-5/h1-3H,4H2
InChIKeyKCJIOINEQPWTCE-UHFFFAOYSA-N
MW192.63 g/mol
LogP0.55
Rot. Bonds2

About pyridazin-4-ylmethanesulfonyl chloride

pyridazin-4-ylmethanesulfonyl chloride (PubChem CID 55266588) has the molecular formula C5H5ClN2O2S and a molecular weight of 192.63 g/mol. Its IUPAC name is pyridazin-4-ylmethanesulfonyl chloride.

Molecular Properties

Compound Namepyridazin-4-ylmethanesulfonyl chloride
PubChem CID55266588
Molecular FormulaC5H5ClN2O2S
Molecular Weight192.63 g/mol
Exact Mass191.98
IUPAC Namepyridazin-4-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccnnc1
InChIInChI=1S/C5H5ClN2O2S/c6-11(9,10)4-5-1-2-7-8-3-5/h1-3H,4H2
InChIKeyKCJIOINEQPWTCE-UHFFFAOYSA-N
XLogP0.55
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.63
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridazine-3-sulfonamide
CID 23076742
Pyridazine-3-sulfonyl fluoride
CID 22591562
Pyridazine-3-sulfonic acid
CID 21711839
4-Methylpyridazine;trifluoromethanesulfonic acid
CID 159345538
CID 177800937
CID 177800937
Methanesulfonate;pyridazin-1-ium-1-amine
CID 135052256
5-(Trifluoromethyl)pyridazine-3-sulfonyl chloride
CID 164645382
CID 178345282
CID 178345282
Pyridazine-4-sulfonyl chloride
CID 53435585
Pyridazin-4-ylmethanesulfonamide
CID 57424941
Pyridazine-3-sulfonyl chloride
CID 62483065
2-Pyridazin-4-ylethanesulfonamide
CID 68974583

Frequently Asked Questions

What is the IUPAC name of pyridazin-4-ylmethanesulfonyl chloride?
The IUPAC name of pyridazin-4-ylmethanesulfonyl chloride (CID 55266588) is pyridazin-4-ylmethanesulfonyl chloride.
What is the SMILES notation for pyridazin-4-ylmethanesulfonyl chloride?
The canonical SMILES for pyridazin-4-ylmethanesulfonyl chloride is O=S(=O)(Cl)Cc1ccnnc1.
What is the InChIKey of pyridazin-4-ylmethanesulfonyl chloride?
The InChIKey is KCJIOINEQPWTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2S/c6-11(9,10)4-5-1-2-7-8-3-5/h1-3H,4H2.
What are the key properties of pyridazin-4-ylmethanesulfonyl chloride?
pyridazin-4-ylmethanesulfonyl chloride has a molecular weight of 192.63 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-4-ylmethanesulfonyl chloride is sourced from PubChem (CID 55266588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).