2-(phenylsulfonimidoyl)acetic acid

C8H9NO3S — CID 87165039

IUPAC2-(phenylsulfonimidoyl)acetic acid
SMILES[H]N=S(=O)(CC(=O)O)c1ccccc1
InChIInChI=1S/C8H9NO3S/c9-13(12,6-8(10)11)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyQRLNFRKHYBPRGD-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.18
Rot. Bonds3

About 2-(phenylsulfonimidoyl)acetic acid

2-(phenylsulfonimidoyl)acetic acid (PubChem CID 87165039) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-(phenylsulfonimidoyl)acetic acid.

Molecular Properties

Compound Name2-(phenylsulfonimidoyl)acetic acid
PubChem CID87165039
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-(phenylsulfonimidoyl)acetic acid
SMILES[H]N=S(=O)(CC(=O)O)c1ccccc1
InChIInChI=1S/C8H9NO3S/c9-13(12,6-8(10)11)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyQRLNFRKHYBPRGD-UHFFFAOYSA-N
XLogP1.18
TPSA78.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(benzenesulfonyl)-N-hydroxyacetamide
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2-(phenylsulfonimidoyl)butanoic acid
CID 86629473
2-(2-phenylpropylsulfonyl)acetic acid
CID 141376765
CID 172781001
CID 172781001
benzenesulfonic acid
CID 87196622
1-(benzenesulfonyl)-3-chloropropan-2-one
CID 555621

Frequently Asked Questions

What is the IUPAC name of 2-(phenylsulfonimidoyl)acetic acid?
The IUPAC name of 2-(phenylsulfonimidoyl)acetic acid (CID 87165039) is 2-(phenylsulfonimidoyl)acetic acid.
What is the SMILES notation for 2-(phenylsulfonimidoyl)acetic acid?
The canonical SMILES for 2-(phenylsulfonimidoyl)acetic acid is [H]N=S(=O)(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(phenylsulfonimidoyl)acetic acid?
The InChIKey is QRLNFRKHYBPRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c9-13(12,6-8(10)11)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11).
What are the key properties of 2-(phenylsulfonimidoyl)acetic acid?
2-(phenylsulfonimidoyl)acetic acid has a molecular weight of 199.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylsulfonimidoyl)acetic acid is sourced from PubChem (CID 87165039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).