2-(2-sulfamoylphenyl)sulfanylpropanoic acid

C9H11NO4S2 — CID 43454192

IUPAC2-(2-sulfamoylphenyl)sulfanylpropanoic acid
SMILESCC(Sc1ccccc1S(N)(=O)=O)C(=O)O
InChIInChI=1S/C9H11NO4S2/c1-6(9(11)12)15-7-4-2-3-5-8(7)16(10,13)14/h2-6H,1H3,(H,11,12)(H2,10,13,14)
InChIKeyGWEHGQSRGKKKOS-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.90
Rot. Bonds4

About 2-(2-sulfamoylphenyl)sulfanylpropanoic acid

2-(2-sulfamoylphenyl)sulfanylpropanoic acid (PubChem CID 43454192) has the molecular formula C9H11NO4S2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2-sulfamoylphenyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-(2-sulfamoylphenyl)sulfanylpropanoic acid
PubChem CID43454192
Molecular FormulaC9H11NO4S2
Molecular Weight261.32 g/mol
Exact Mass261.01
IUPAC Name2-(2-sulfamoylphenyl)sulfanylpropanoic acid
SMILESCC(Sc1ccccc1S(N)(=O)=O)C(=O)O
InChIInChI=1S/C9H11NO4S2/c1-6(9(11)12)15-7-4-2-3-5-8(7)16(10,13)14/h2-6H,1H3,(H,11,12)(H2,10,13,14)
InChIKeyGWEHGQSRGKKKOS-UHFFFAOYSA-N
XLogP0.90
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)sulfanylpropanoic acid
CID 20985535
2-[2-(carboxymethyl)phenyl]sulfanylpropanoic acid
CID 10444309
2-[2-(trifluoromethyl)phenyl]sulfanylpropanoic acid
CID 62314732
2-(2-sulfamoylanilino)propanoic acid
CID 43468805
2-methyl-3-oxo-3-(2-sulfamoylanilino)propanoic acid
CID 114898170
2-(2-sulfamoylphenyl)sulfanylbenzoate
CID 6924052
2-(2-methyl-3-sulfamoylanilino)propanoic acid
CID 66173145
2-(2-bromophenyl)sulfanylbenzenesulfonamide
CID 15561583
(2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 28828701
2-[2-[2-(methanesulfonamido)ethylcarbamoyl]phenyl]sulfanylpropanoic acid
CID 119184470
2-(3-hydroxypropylsulfanyl)benzenesulfonamide
CID 66112944
2-(2-aminoethylsulfanyl)benzenesulfonamide
CID 154389901

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfamoylphenyl)sulfanylpropanoic acid?
The IUPAC name of 2-(2-sulfamoylphenyl)sulfanylpropanoic acid (CID 43454192) is 2-(2-sulfamoylphenyl)sulfanylpropanoic acid.
What is the SMILES notation for 2-(2-sulfamoylphenyl)sulfanylpropanoic acid?
The canonical SMILES for 2-(2-sulfamoylphenyl)sulfanylpropanoic acid is CC(Sc1ccccc1S(N)(=O)=O)C(=O)O.
What is the InChIKey of 2-(2-sulfamoylphenyl)sulfanylpropanoic acid?
The InChIKey is GWEHGQSRGKKKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S2/c1-6(9(11)12)15-7-4-2-3-5-8(7)16(10,13)14/h2-6H,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of 2-(2-sulfamoylphenyl)sulfanylpropanoic acid?
2-(2-sulfamoylphenyl)sulfanylpropanoic acid has a molecular weight of 261.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfamoylphenyl)sulfanylpropanoic acid is sourced from PubChem (CID 43454192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).