(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid

C9H10ClNO5S — CID 28831674

IUPAC(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO5S/c10-6-3-1-2-4-8(6)17(15,16)11-7(5-12)9(13)14/h1-4,7,11-12H,5H2,(H,13,14)/t7-/m1/s1
InChIKeyFEUMTZSUDAKHDA-SSDOTTSWSA-N
MW279.70 g/mol
LogP0.06
Rot. Bonds5

About (2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid

(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid (PubChem CID 28831674) has the molecular formula C9H10ClNO5S and a molecular weight of 279.70 g/mol. Its IUPAC name is (2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
PubChem CID28831674
Molecular FormulaC9H10ClNO5S
Molecular Weight279.70 g/mol
Exact Mass279.00
IUPAC Name(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO5S/c10-6-3-1-2-4-8(6)17(15,16)11-7(5-12)9(13)14/h1-4,7,11-12H,5H2,(H,13,14)/t7-/m1/s1
InChIKeyFEUMTZSUDAKHDA-SSDOTTSWSA-N
XLogP0.06
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)sulfonylamino]butanedioic acid
CID 71628754
(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828867
(2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid
CID 80750989
(2S)-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 103087572
2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
CID 69464437
3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 43242373
(2R)-3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 80755925
(2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935022
(2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751470
(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935868
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
(2S)-2-[(2-chloro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935068

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid (CID 28831674) is (2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid is O=C(O)[C@@H](CO)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid?
The InChIKey is FEUMTZSUDAKHDA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10ClNO5S/c10-6-3-1-2-4-8(6)17(15,16)11-7(5-12)9(13)14/h1-4,7,11-12H,5H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid?
(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid has a molecular weight of 279.70 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 28831674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).