(2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid

C10H12FNO7S2 — CID 80755904

IUPAC(2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N[C@H](CO)C(=O)O)c1
InChIInChI=1S/C10H12FNO7S2/c1-20(16,17)6-2-3-7(11)9(4-6)21(18,19)12-8(5-13)10(14)15/h2-4,8,12-13H,5H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyZYGFHNYPQXYQDZ-MRVPVSSYSA-N
MW341.34 g/mol
LogP-1.05
Rot. Bonds6

About (2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid

(2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid (PubChem CID 80755904) has the molecular formula C10H12FNO7S2 and a molecular weight of 341.34 g/mol. Its IUPAC name is (2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid
PubChem CID80755904
Molecular FormulaC10H12FNO7S2
Molecular Weight341.34 g/mol
Exact Mass341.00
IUPAC Name(2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N[C@H](CO)C(=O)O)c1
InChIInChI=1S/C10H12FNO7S2/c1-20(16,17)6-2-3-7(11)9(4-6)21(18,19)12-8(5-13)10(14)15/h2-4,8,12-13H,5H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyZYGFHNYPQXYQDZ-MRVPVSSYSA-N
XLogP-1.05
TPSA137.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylsulfonylbenzenesulfonamide
CID 104868981
3-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 43455216
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43091688
2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]butanethioamide
CID 61122446
2-[(2-chloro-5-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 43415212
2-fluoro-N-(3-hydroxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 65034606
2-fluoro-5-methylsulfonyl-N-pentan-2-ylbenzenesulfonamide
CID 43454734
N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66177540
N-(1-chloro-3-methylbutan-2-yl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 79262394
2-fluoro-N-(1-iodo-3-methylbutan-2-yl)-5-methylsulfonylbenzenesulfonamide
CID 107860278
(2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751484
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 61141715

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid (CID 80755904) is (2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid is CS(=O)(=O)c1ccc(F)c(S(=O)(=O)N[C@H](CO)C(=O)O)c1.
What is the InChIKey of (2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid?
The InChIKey is ZYGFHNYPQXYQDZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12FNO7S2/c1-20(16,17)6-2-3-7(11)9(4-6)21(18,19)12-8(5-13)10(14)15/h2-4,8,12-13H,5H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid?
(2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid has a molecular weight of 341.34 g/mol, XLogP of -1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80755904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).