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

C9H10FNO5S — CID 705714

IUPAC(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](CO)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO5S/c10-6-1-3-7(4-2-6)17(15,16)11-8(5-12)9(13)14/h1-4,8,11-12H,5H2,(H,13,14)/t8-/m0/s1
InChIKeySKHNUHDOTJKEAO-QMMMGPOBSA-N
MW263.25 g/mol
LogP-0.45
Rot. Bonds5

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

(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid (PubChem CID 705714) has the molecular formula C9H10FNO5S and a molecular weight of 263.25 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
PubChem CID705714
Molecular FormulaC9H10FNO5S
Molecular Weight263.25 g/mol
Exact Mass263.03
IUPAC Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](CO)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO5S/c10-6-1-3-7(4-2-6)17(15,16)11-8(5-12)9(13)14/h1-4,8,11-12H,5H2,(H,13,14)/t8-/m0/s1
InChIKeySKHNUHDOTJKEAO-QMMMGPOBSA-N
XLogP-0.45
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid (CID 705714) is (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid is O=C(O)[C@H](CO)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid?
The InChIKey is SKHNUHDOTJKEAO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10FNO5S/c10-6-1-3-7(4-2-6)17(15,16)11-8(5-12)9(13)14/h1-4,8,11-12H,5H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid?
(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid has a molecular weight of 263.25 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 705714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).