2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid

C9H9ClFNO5S — CID 43091688

IUPAC2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)NS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClFNO5S/c10-6-3-5(1-2-7(6)11)18(16,17)12-8(4-13)9(14)15/h1-3,8,12-13H,4H2,(H,14,15)
InChIKeyJMMRLAXPSTUDML-UHFFFAOYSA-N
MW297.69 g/mol
LogP0.20
Rot. Bonds5

About 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid

2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid (PubChem CID 43091688) has the molecular formula C9H9ClFNO5S and a molecular weight of 297.69 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
PubChem CID43091688
Molecular FormulaC9H9ClFNO5S
Molecular Weight297.69 g/mol
Exact Mass296.99
IUPAC Name2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)NS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClFNO5S/c10-6-3-5(1-2-7(6)11)18(16,17)12-8(4-13)9(14)15/h1-3,8,12-13H,4H2,(H,14,15)
InChIKeyJMMRLAXPSTUDML-UHFFFAOYSA-N
XLogP0.20
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 93302578
(2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid
CID 80755920
(2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 80755904
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 61141715
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3673321
(2S)-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 103087572
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 8802546
2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
CID 697755
3-chloro-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 21236350
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid
CID 59001025
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-phenylacetamide
CID 51291589
3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 18328781

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid (CID 43091688) is 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid is O=C(O)C(CO)NS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid?
The InChIKey is JMMRLAXPSTUDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO5S/c10-6-3-5(1-2-7(6)11)18(16,17)12-8(4-13)9(14)15/h1-3,8,12-13H,4H2,(H,14,15).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid?
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid has a molecular weight of 297.69 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43091688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).