3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine

C9H12ClN3O2S — CID 97163642

IUPAC3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine
SMILESO=S(=O)(C[C@@H]1CCCN1)c1ccc(Cl)nn1
InChIInChI=1S/C9H12ClN3O2S/c10-8-3-4-9(13-12-8)16(14,15)6-7-2-1-5-11-7/h3-4,7,11H,1-2,5-6H2/t7-/m0/s1
InChIKeyHXJTWYCNDKRQQI-ZETCQYMHSA-N
MW261.73 g/mol
LogP0.66
Rot. Bonds3

About 3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine

3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine (PubChem CID 97163642) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine
PubChem CID97163642
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine
SMILESO=S(=O)(C[C@@H]1CCCN1)c1ccc(Cl)nn1
InChIInChI=1S/C9H12ClN3O2S/c10-8-3-4-9(13-12-8)16(14,15)6-7-2-1-5-11-7/h3-4,7,11H,1-2,5-6H2/t7-/m0/s1
InChIKeyHXJTWYCNDKRQQI-ZETCQYMHSA-N
XLogP0.66
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine?
The IUPAC name of 3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine (CID 97163642) is 3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine?
The canonical SMILES for 3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine is O=S(=O)(C[C@@H]1CCCN1)c1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine?
The InChIKey is HXJTWYCNDKRQQI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c10-8-3-4-9(13-12-8)16(14,15)6-7-2-1-5-11-7/h3-4,7,11H,1-2,5-6H2/t7-/m0/s1.
What are the key properties of 3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine?
3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine has a molecular weight of 261.73 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine is sourced from PubChem (CID 97163642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).