2-[3-(methanesulfonamido)phenyl]acetic acid

C9H11NO4S — CID 2773885

IUPAC2-[3-(methanesulfonamido)phenyl]acetic acid
SMILESCS(=O)(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C9H11NO4S/c1-15(13,14)10-8-4-2-3-7(5-8)6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyBIOUAIZBGSFDIS-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.69
Rot. Bonds4

About 2-[3-(methanesulfonamido)phenyl]acetic acid

2-[3-(methanesulfonamido)phenyl]acetic acid (PubChem CID 2773885) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-[3-(methanesulfonamido)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(methanesulfonamido)phenyl]acetic acid
PubChem CID2773885
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-[3-(methanesulfonamido)phenyl]acetic acid
SMILESCS(=O)(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C9H11NO4S/c1-15(13,14)10-8-4-2-3-7(5-8)6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyBIOUAIZBGSFDIS-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methanesulfonamido)phenyl]acetic acid?
The IUPAC name of 2-[3-(methanesulfonamido)phenyl]acetic acid (CID 2773885) is 2-[3-(methanesulfonamido)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(methanesulfonamido)phenyl]acetic acid?
The canonical SMILES for 2-[3-(methanesulfonamido)phenyl]acetic acid is CS(=O)(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-(methanesulfonamido)phenyl]acetic acid?
The InChIKey is BIOUAIZBGSFDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-15(13,14)10-8-4-2-3-7(5-8)6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12).
What are the key properties of 2-[3-(methanesulfonamido)phenyl]acetic acid?
2-[3-(methanesulfonamido)phenyl]acetic acid has a molecular weight of 229.26 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methanesulfonamido)phenyl]acetic acid is sourced from PubChem (CID 2773885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).