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

C9H10ClNO5S — CID 104935868

IUPAC(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)[C@@H](O)CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO5S/c10-6-3-1-2-4-8(6)17(15,16)11-5-7(12)9(13)14/h1-4,7,11-12H,5H2,(H,13,14)/t7-/m0/s1
InChIKeyVATKSLITPMTVSS-ZETCQYMHSA-N
MW279.70 g/mol
LogP0.06
Rot. Bonds5

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

(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid (PubChem CID 104935868) has the molecular formula C9H10ClNO5S and a molecular weight of 279.70 g/mol. Its IUPAC name is (2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid
PubChem CID104935868
Molecular FormulaC9H10ClNO5S
Molecular Weight279.70 g/mol
Exact Mass279.00
IUPAC Name(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)[C@@H](O)CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO5S/c10-6-3-1-2-4-8(6)17(15,16)11-5-7(12)9(13)14/h1-4,7,11-12H,5H2,(H,13,14)/t7-/m0/s1
InChIKeyVATKSLITPMTVSS-ZETCQYMHSA-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

(2S)-3-[(2-chloro-5-nitrophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 107835207
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 97325974
(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831674
2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid
CID 65222532
(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935815
(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935898
2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid
CID 110504575
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
2-[(2-chlorophenyl)sulfonylamino]butanedioic acid
CID 71628754
2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 66168152

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid (CID 104935868) is (2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid is O=C(O)[C@@H](O)CNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of (2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid?
The InChIKey is VATKSLITPMTVSS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10ClNO5S/c10-6-3-1-2-4-8(6)17(15,16)11-5-7(12)9(13)14/h1-4,7,11-12H,5H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid?
(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-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 (2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 104935868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).