2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid

C10H13NO5S — CID 107862097

IUPAC2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C10H13NO5S/c12-6-9(8-4-2-1-3-5-8)11-17(15,16)7-10(13)14/h1-5,9,11-12H,6-7H2,(H,13,14)/t9-/m1/s1
InChIKeyTYCRNPYJJGZNLZ-SECBINFHSA-N
MW259.28 g/mol
LogP-0.28
Rot. Bonds6

About 2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid

2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid (PubChem CID 107862097) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid
PubChem CID107862097
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C10H13NO5S/c12-6-9(8-4-2-1-3-5-8)11-17(15,16)7-10(13)14/h1-5,9,11-12H,6-7H2,(H,13,14)/t9-/m1/s1
InChIKeyTYCRNPYJJGZNLZ-SECBINFHSA-N
XLogP-0.28
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide
CID 107863619
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylpropane-1-sulfonamide
CID 107863620
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide
CID 103825699
[(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene
CID 103825683
2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid
CID 60780500
N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide
CID 111448440
(2R)-2-(cyclopropylsulfamoylamino)-2-phenylethanol
CID 104919310
3-(methylsulfonylmethylsulfonylamino)-3-phenylpropanoic acid
CID 82839464
2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182594
ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
CID 107863586
N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide
CID 63182937

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid (CID 107862097) is 2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid?
The InChIKey is TYCRNPYJJGZNLZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO5S/c12-6-9(8-4-2-1-3-5-8)11-17(15,16)7-10(13)14/h1-5,9,11-12H,6-7H2,(H,13,14)/t9-/m1/s1.
What are the key properties of 2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid?
2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid has a molecular weight of 259.28 g/mol, XLogP of -0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid is sourced from PubChem (CID 107862097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).