2-phenyl-2-sulfamoyloxyacetic acid

C8H9NO5S — CID 19108711

IUPAC2-phenyl-2-sulfamoyloxyacetic acid
SMILESNS(=O)(=O)OC(C(=O)O)c1ccccc1
InChIInChI=1S/C8H9NO5S/c9-15(12,13)14-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H2,9,12,13)
InChIKeyNHYGTAZRJAHCPC-UHFFFAOYSA-N
MW231.23 g/mol
LogP0.03
Rot. Bonds4

About 2-phenyl-2-sulfamoyloxyacetic acid

2-phenyl-2-sulfamoyloxyacetic acid (PubChem CID 19108711) has the molecular formula C8H9NO5S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-phenyl-2-sulfamoyloxyacetic acid.

Molecular Properties

Compound Name2-phenyl-2-sulfamoyloxyacetic acid
PubChem CID19108711
Molecular FormulaC8H9NO5S
Molecular Weight231.23 g/mol
Exact Mass231.02
IUPAC Name2-phenyl-2-sulfamoyloxyacetic acid
SMILESNS(=O)(=O)OC(C(=O)O)c1ccccc1
InChIInChI=1S/C8H9NO5S/c9-15(12,13)14-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H2,9,12,13)
InChIKeyNHYGTAZRJAHCPC-UHFFFAOYSA-N
XLogP0.03
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-2-oxo-1-phenylethyl) methanesulfonate
CID 57276683
(2S)-2-phenyl-2-sulfamoylacetic acid
CID 124582466
(2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid
CID 54256901
phenyl 2-methylsulfonyloxy-2-phenylacetate
CID 118035163
methyl 2-phenyl-2-(trifluoromethylsulfonyloxy)acetate
CID 14104123
(2R)-2-phenyl-2-sulfinooxyacetic acid
CID 59917554
disodium;2-[carboxylato(phenyl)methoxy]-2-phenylacetate
CID 91666684
(2S)-2-cyclopropyloxy-2-phenylacetic acid
CID 167014814
2-phenyl-2-(2,2,2-trichloroethoxycarbonyloxy)acetic acid
CID 21454891
(2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid
CID 102450257
(2R)-2-phenyl-2-sulfamoylacetamide
CID 124507731
2-methoxy-2-phenylacetate
CID 4569340

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-sulfamoyloxyacetic acid?
The IUPAC name of 2-phenyl-2-sulfamoyloxyacetic acid (CID 19108711) is 2-phenyl-2-sulfamoyloxyacetic acid.
What is the SMILES notation for 2-phenyl-2-sulfamoyloxyacetic acid?
The canonical SMILES for 2-phenyl-2-sulfamoyloxyacetic acid is NS(=O)(=O)OC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-sulfamoyloxyacetic acid?
The InChIKey is NHYGTAZRJAHCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5S/c9-15(12,13)14-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H2,9,12,13).
What are the key properties of 2-phenyl-2-sulfamoyloxyacetic acid?
2-phenyl-2-sulfamoyloxyacetic acid has a molecular weight of 231.23 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-sulfamoyloxyacetic acid is sourced from PubChem (CID 19108711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).