2-sulfamoylacetic acid;trihydrochloride

C2H8Cl3NO4S — CID 139990741

IUPAC2-sulfamoylacetic acid;trihydrochloride
SMILESCl.Cl.Cl.NS(=O)(=O)CC(=O)O
InChIInChI=1S/C2H5NO4S.3ClH/c3-8(6,7)1-2(4)5;;;/h1H2,(H,4,5)(H2,3,6,7);3*1H
InChIKeyQDJQVALKMLDTFG-UHFFFAOYSA-N
MW248.51 g/mol
LogP-0.38
Rot. Bonds2

About 2-sulfamoylacetic acid;trihydrochloride

2-sulfamoylacetic acid;trihydrochloride (PubChem CID 139990741) has the molecular formula C2H8Cl3NO4S and a molecular weight of 248.51 g/mol. Its IUPAC name is 2-sulfamoylacetic acid;trihydrochloride.

Molecular Properties

Compound Name2-sulfamoylacetic acid;trihydrochloride
PubChem CID139990741
Molecular FormulaC2H8Cl3NO4S
Molecular Weight248.51 g/mol
Exact Mass246.92
IUPAC Name2-sulfamoylacetic acid;trihydrochloride
SMILESCl.Cl.Cl.NS(=O)(=O)CC(=O)O
InChIInChI=1S/C2H5NO4S.3ClH/c3-8(6,7)1-2(4)5;;;/h1H2,(H,4,5)(H2,3,6,7);3*1H
InChIKeyQDJQVALKMLDTFG-UHFFFAOYSA-N
XLogP-0.38
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-sulfamoylacetic acid;trihydrochloride?
The IUPAC name of 2-sulfamoylacetic acid;trihydrochloride (CID 139990741) is 2-sulfamoylacetic acid;trihydrochloride.
What is the SMILES notation for 2-sulfamoylacetic acid;trihydrochloride?
The canonical SMILES for 2-sulfamoylacetic acid;trihydrochloride is Cl.Cl.Cl.NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-sulfamoylacetic acid;trihydrochloride?
The InChIKey is QDJQVALKMLDTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO4S.3ClH/c3-8(6,7)1-2(4)5;;;/h1H2,(H,4,5)(H2,3,6,7);3*1H.
What are the key properties of 2-sulfamoylacetic acid;trihydrochloride?
2-sulfamoylacetic acid;trihydrochloride has a molecular weight of 248.51 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfamoylacetic acid;trihydrochloride is sourced from PubChem (CID 139990741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).