chlorosulfonylmethyl(triethyl)azanium

C7H17ClNO2S+ — CID 22056668

IUPACchlorosulfonylmethyl(triethyl)azanium
SMILESCC[N+](CC)(CC)CS(=O)(=O)Cl
InChIInChI=1S/C7H17ClNO2S/c1-4-9(5-2,6-3)7-12(8,10)11/h4-7H2,1-3H3/q+1
InChIKeyBGVWXOCWFXYVFW-UHFFFAOYSA-N
MW214.74 g/mol
LogP1.39
Rot. Bonds5

About chlorosulfonylmethyl(triethyl)azanium

chlorosulfonylmethyl(triethyl)azanium (PubChem CID 22056668) has the molecular formula C7H17ClNO2S+ and a molecular weight of 214.74 g/mol. Its IUPAC name is chlorosulfonylmethyl(triethyl)azanium.

Molecular Properties

Compound Namechlorosulfonylmethyl(triethyl)azanium
PubChem CID22056668
Molecular FormulaC7H17ClNO2S+
Molecular Weight214.74 g/mol
Exact Mass214.07
IUPAC Namechlorosulfonylmethyl(triethyl)azanium
SMILESCC[N+](CC)(CC)CS(=O)(=O)Cl
InChIInChI=1S/C7H17ClNO2S/c1-4-9(5-2,6-3)7-12(8,10)11/h4-7H2,1-3H3/q+1
InChIKeyBGVWXOCWFXYVFW-UHFFFAOYSA-N
XLogP1.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chlorosulfonylmethyl(triethyl)azanium?
The IUPAC name of chlorosulfonylmethyl(triethyl)azanium (CID 22056668) is chlorosulfonylmethyl(triethyl)azanium.
What is the SMILES notation for chlorosulfonylmethyl(triethyl)azanium?
The canonical SMILES for chlorosulfonylmethyl(triethyl)azanium is CC[N+](CC)(CC)CS(=O)(=O)Cl.
What is the InChIKey of chlorosulfonylmethyl(triethyl)azanium?
The InChIKey is BGVWXOCWFXYVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClNO2S/c1-4-9(5-2,6-3)7-12(8,10)11/h4-7H2,1-3H3/q+1.
What are the key properties of chlorosulfonylmethyl(triethyl)azanium?
chlorosulfonylmethyl(triethyl)azanium has a molecular weight of 214.74 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfonylmethyl(triethyl)azanium is sourced from PubChem (CID 22056668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).