morpholine-4-sulfonyl chloride

C4H8ClNO3S — CID 12798265

IUPACmorpholine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCOCC1
InChIInChI=1S/C4H8ClNO3S/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2
InChIKeyKXIBCCFSAMRWIC-UHFFFAOYSA-N
MW185.63 g/mol
LogP-0.20
Rot. Bonds1

About morpholine-4-sulfonyl chloride

morpholine-4-sulfonyl chloride (PubChem CID 12798265) has the molecular formula C4H8ClNO3S and a molecular weight of 185.63 g/mol. Its IUPAC name is morpholine-4-sulfonyl chloride.

Molecular Properties

Compound Namemorpholine-4-sulfonyl chloride
PubChem CID12798265
Molecular FormulaC4H8ClNO3S
Molecular Weight185.63 g/mol
Exact Mass184.99
IUPAC Namemorpholine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCOCC1
InChIInChI=1S/C4H8ClNO3S/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2
InChIKeyKXIBCCFSAMRWIC-UHFFFAOYSA-N
XLogP-0.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of morpholine-4-sulfonyl chloride?
The IUPAC name of morpholine-4-sulfonyl chloride (CID 12798265) is morpholine-4-sulfonyl chloride.
What is the SMILES notation for morpholine-4-sulfonyl chloride?
The canonical SMILES for morpholine-4-sulfonyl chloride is O=S(=O)(Cl)N1CCOCC1.
What is the InChIKey of morpholine-4-sulfonyl chloride?
The InChIKey is KXIBCCFSAMRWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO3S/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2.
What are the key properties of morpholine-4-sulfonyl chloride?
morpholine-4-sulfonyl chloride has a molecular weight of 185.63 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-4-sulfonyl chloride is sourced from PubChem (CID 12798265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).