(2S)-2-phenyl-2-sulfamoylacetic acid

C8H9NO4S — CID 124582466

IUPAC(2S)-2-phenyl-2-sulfamoylacetic acid
SMILESNS(=O)(=O)[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C8H9NO4S/c9-14(12,13)7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H2,9,12,13)/t7-/m0/s1
InChIKeyKPACRUBCFAVOAC-ZETCQYMHSA-N
MW215.23 g/mol
LogP0.10
Rot. Bonds3

About (2S)-2-phenyl-2-sulfamoylacetic acid

(2S)-2-phenyl-2-sulfamoylacetic acid (PubChem CID 124582466) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is (2S)-2-phenyl-2-sulfamoylacetic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-2-sulfamoylacetic acid
PubChem CID124582466
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name(2S)-2-phenyl-2-sulfamoylacetic acid
SMILESNS(=O)(=O)[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C8H9NO4S/c9-14(12,13)7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H2,9,12,13)/t7-/m0/s1
InChIKeyKPACRUBCFAVOAC-ZETCQYMHSA-N
XLogP0.10
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-2-sulfamoylacetamide
CID 124507731
2-oxo-1-phenylpropane-1-sulfonamide
CID 70874810
2-[(2-aminoacetyl)amino]-4-methylpentanoic acid;2-phenyl-2-sulfamoylacetic acid
CID 126602038
2-phenyl-2-sulfamoyloxyacetic acid
CID 19108711
CID 131880668
CID 131880668
[phenyl(sulfamoyl)methyl] acetate
CID 118097051
2-amino-2-phenylacetic acid;benzene
CID 18446848
lithium;2,2-diphenylacetic acid;hydride
CID 174648923
(2S)-2-fluoro-2-phenylacetic acid
CID 7003723
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-(benzenesulfonyl)-2-sulfamoylacetic acid
CID 154414144
2-phenyl-3-(sulfamoylamino)propanoic acid
CID 114958853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-sulfamoylacetic acid?
The IUPAC name of (2S)-2-phenyl-2-sulfamoylacetic acid (CID 124582466) is (2S)-2-phenyl-2-sulfamoylacetic acid.
What is the SMILES notation for (2S)-2-phenyl-2-sulfamoylacetic acid?
The canonical SMILES for (2S)-2-phenyl-2-sulfamoylacetic acid is NS(=O)(=O)[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-sulfamoylacetic acid?
The InChIKey is KPACRUBCFAVOAC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9NO4S/c9-14(12,13)7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H2,9,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-sulfamoylacetic acid?
(2S)-2-phenyl-2-sulfamoylacetic acid has a molecular weight of 215.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-sulfamoylacetic acid is sourced from PubChem (CID 124582466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).