3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid

C10H13NO6S2 — CID 43361847

IUPAC3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid
SMILESCS(=O)(=O)c1ccccc1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H13NO6S2/c1-18(14,15)9-5-3-2-4-8(9)11-19(16,17)7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyYTIZJFKFLMBEHB-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.31
Rot. Bonds6

About 3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid

3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid (PubChem CID 43361847) has the molecular formula C10H13NO6S2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid
PubChem CID43361847
Molecular FormulaC10H13NO6S2
Molecular Weight307.35 g/mol
Exact Mass307.02
IUPAC Name3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid
SMILESCS(=O)(=O)c1ccccc1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H13NO6S2/c1-18(14,15)9-5-3-2-4-8(9)11-19(16,17)7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyYTIZJFKFLMBEHB-UHFFFAOYSA-N
XLogP0.31
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide
CID 43654272
1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide
CID 83084505
3-[(2-ethylsulfanylphenyl)sulfamoyl]propanoic acid
CID 60933758
3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid
CID 43709519
4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid
CID 43715678
3-[[2-[[acetyl(methyl)amino]methyl]phenyl]sulfamoyl]propanoic acid
CID 43708606
2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid
CID 43696150
3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid
CID 28969153
3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid
CID 43361748
3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid
CID 43699684
N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide
CID 54934964

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid (CID 43361847) is 3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid is CS(=O)(=O)c1ccccc1NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid?
The InChIKey is YTIZJFKFLMBEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S2/c1-18(14,15)9-5-3-2-4-8(9)11-19(16,17)7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13).
What are the key properties of 3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid?
3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid has a molecular weight of 307.35 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43361847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).