2-morpholin-4-ylethanesulfonyl chloride;hydrochloride

C6H13Cl2NO3S — CID 75525709

IUPAC2-morpholin-4-ylethanesulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)CCN1CCOCC1
InChIInChI=1S/C6H12ClNO3S.ClH/c7-12(9,10)6-3-8-1-4-11-5-2-8;/h1-6H2;1H
InChIKeyRSKSQHXTOZQESA-UHFFFAOYSA-N
MW250.15 g/mol
LogP0.31
Rot. Bonds3

About 2-morpholin-4-ylethanesulfonyl chloride;hydrochloride

2-morpholin-4-ylethanesulfonyl chloride;hydrochloride (PubChem CID 75525709) has the molecular formula C6H13Cl2NO3S and a molecular weight of 250.15 g/mol. Its IUPAC name is 2-morpholin-4-ylethanesulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-ylethanesulfonyl chloride;hydrochloride
PubChem CID75525709
Molecular FormulaC6H13Cl2NO3S
Molecular Weight250.15 g/mol
Exact Mass249.00
IUPAC Name2-morpholin-4-ylethanesulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)CCN1CCOCC1
InChIInChI=1S/C6H12ClNO3S.ClH/c7-12(9,10)6-3-8-1-4-11-5-2-8;/h1-6H2;1H
InChIKeyRSKSQHXTOZQESA-UHFFFAOYSA-N
XLogP0.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethanesulfonyl chloride;hydrochloride?
The IUPAC name of 2-morpholin-4-ylethanesulfonyl chloride;hydrochloride (CID 75525709) is 2-morpholin-4-ylethanesulfonyl chloride;hydrochloride.
What is the SMILES notation for 2-morpholin-4-ylethanesulfonyl chloride;hydrochloride?
The canonical SMILES for 2-morpholin-4-ylethanesulfonyl chloride;hydrochloride is Cl.O=S(=O)(Cl)CCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethanesulfonyl chloride;hydrochloride?
The InChIKey is RSKSQHXTOZQESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO3S.ClH/c7-12(9,10)6-3-8-1-4-11-5-2-8;/h1-6H2;1H.
What are the key properties of 2-morpholin-4-ylethanesulfonyl chloride;hydrochloride?
2-morpholin-4-ylethanesulfonyl chloride;hydrochloride has a molecular weight of 250.15 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethanesulfonyl chloride;hydrochloride is sourced from PubChem (CID 75525709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).