2-sulfamoylacetic acid;hydrochloride

C2H6ClNO4S — CID 141070966

IUPAC2-sulfamoylacetic acid;hydrochloride
SMILESCl.NS(=O)(=O)CC(=O)O
InChIInChI=1S/C2H5NO4S.ClH/c3-8(6,7)1-2(4)5;/h1H2,(H,4,5)(H2,3,6,7);1H
InChIKeySDFDFNAVTVMSRI-UHFFFAOYSA-N
MW175.59 g/mol
LogP-1.22
Rot. Bonds2

About 2-sulfamoylacetic acid;hydrochloride

2-sulfamoylacetic acid;hydrochloride (PubChem CID 141070966) has the molecular formula C2H6ClNO4S and a molecular weight of 175.59 g/mol. Its IUPAC name is 2-sulfamoylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-sulfamoylacetic acid;hydrochloride
PubChem CID141070966
Molecular FormulaC2H6ClNO4S
Molecular Weight175.59 g/mol
Exact Mass174.97
IUPAC Name2-sulfamoylacetic acid;hydrochloride
SMILESCl.NS(=O)(=O)CC(=O)O
InChIInChI=1S/C2H5NO4S.ClH/c3-8(6,7)1-2(4)5;/h1H2,(H,4,5)(H2,3,6,7);1H
InChIKeySDFDFNAVTVMSRI-UHFFFAOYSA-N
XLogP-1.22
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.59
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-sulfamoylacetic acid;hydrochloride?
The IUPAC name of 2-sulfamoylacetic acid;hydrochloride (CID 141070966) is 2-sulfamoylacetic acid;hydrochloride.
What is the SMILES notation for 2-sulfamoylacetic acid;hydrochloride?
The canonical SMILES for 2-sulfamoylacetic acid;hydrochloride is Cl.NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-sulfamoylacetic acid;hydrochloride?
The InChIKey is SDFDFNAVTVMSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO4S.ClH/c3-8(6,7)1-2(4)5;/h1H2,(H,4,5)(H2,3,6,7);1H.
What are the key properties of 2-sulfamoylacetic acid;hydrochloride?
2-sulfamoylacetic acid;hydrochloride has a molecular weight of 175.59 g/mol, XLogP of -1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfamoylacetic acid;hydrochloride is sourced from PubChem (CID 141070966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).