(2S)-2-(benzenesulfonamido)propanoic acid

C9H11NO4S — CID 7114743

IUPAC(2S)-2-(benzenesulfonamido)propanoic acid
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO4S/c1-7(9(11)12)10-15(13,14)8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)/t7-/m0/s1
InChIKeyKHLXTMZRKBVYST-ZETCQYMHSA-N
MW229.26 g/mol
LogP0.44
Rot. Bonds4

About (2S)-2-(benzenesulfonamido)propanoic acid

(2S)-2-(benzenesulfonamido)propanoic acid (PubChem CID 7114743) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)propanoic acid
PubChem CID7114743
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name(2S)-2-(benzenesulfonamido)propanoic acid
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO4S/c1-7(9(11)12)10-15(13,14)8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)/t7-/m0/s1
InChIKeyKHLXTMZRKBVYST-ZETCQYMHSA-N
XLogP0.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)propanoic acid?
The IUPAC name of (2S)-2-(benzenesulfonamido)propanoic acid (CID 7114743) is (2S)-2-(benzenesulfonamido)propanoic acid.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)propanoic acid?
The canonical SMILES for (2S)-2-(benzenesulfonamido)propanoic acid is C[C@H](NS(=O)(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(benzenesulfonamido)propanoic acid?
The InChIKey is KHLXTMZRKBVYST-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-7(9(11)12)10-15(13,14)8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)propanoic acid?
(2S)-2-(benzenesulfonamido)propanoic acid has a molecular weight of 229.26 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)propanoic acid is sourced from PubChem (CID 7114743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).