acetic acid;N-ethylsulfamoyl fluoride

C4H10FNO4S — CID 175435767

IUPACacetic acid;N-ethylsulfamoyl fluoride
SMILESCC(=O)O.CCNS(=O)(=O)F
InChIInChI=1S/C2H6FNO2S.C2H4O2/c1-2-4-7(3,5)6;1-2(3)4/h4H,2H2,1H3;1H3,(H,3,4)
InChIKeyPFADDFOZQITVIP-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.10
Rot. Bonds2

About acetic acid;N-ethylsulfamoyl fluoride

acetic acid;N-ethylsulfamoyl fluoride (PubChem CID 175435767) has the molecular formula C4H10FNO4S and a molecular weight of 187.19 g/mol. Its IUPAC name is acetic acid;N-ethylsulfamoyl fluoride.

Molecular Properties

Compound Nameacetic acid;N-ethylsulfamoyl fluoride
PubChem CID175435767
Molecular FormulaC4H10FNO4S
Molecular Weight187.19 g/mol
Exact Mass187.03
IUPAC Nameacetic acid;N-ethylsulfamoyl fluoride
SMILESCC(=O)O.CCNS(=O)(=O)F
InChIInChI=1S/C2H6FNO2S.C2H4O2/c1-2-4-7(3,5)6;1-2(3)4/h4H,2H2,1H3;1H3,(H,3,4)
InChIKeyPFADDFOZQITVIP-UHFFFAOYSA-N
XLogP-0.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;N-ethylhydroxylamine
CID 87903463
acetic acid;methanesulfonic acid;propanoic acid
CID 87710299
acetic acid;N-ethylethanamine;methanol;hydrate
CID 159655795
ethylsulfamic acid;methane
CID 161279958
2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
CID 114805959
acetic acid;sulfuric acid
CID 172861121
acetic acid;azane;propane
CID 173127482
acetic acid;sulfuric acid
CID 158118264
acetic acid;sulfuric acid
CID 157312003
acetic acid;ethane-1,2-diol;ethanesulfonic acid
CID 87347528
acetic acid
CID 158444727
N-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride
CID 167113863

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-ethylsulfamoyl fluoride?
The IUPAC name of acetic acid;N-ethylsulfamoyl fluoride (CID 175435767) is acetic acid;N-ethylsulfamoyl fluoride.
What is the SMILES notation for acetic acid;N-ethylsulfamoyl fluoride?
The canonical SMILES for acetic acid;N-ethylsulfamoyl fluoride is CC(=O)O.CCNS(=O)(=O)F.
What is the InChIKey of acetic acid;N-ethylsulfamoyl fluoride?
The InChIKey is PFADDFOZQITVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6FNO2S.C2H4O2/c1-2-4-7(3,5)6;1-2(3)4/h4H,2H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-ethylsulfamoyl fluoride?
acetic acid;N-ethylsulfamoyl fluoride has a molecular weight of 187.19 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-ethylsulfamoyl fluoride is sourced from PubChem (CID 175435767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).