2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid

C13H18N2O4S — CID 61454882

IUPAC2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C13H18N2O4S/c1-10(13(16)17)20(18,19)14-11-5-4-6-12(9-11)15-7-2-3-8-15/h4-6,9-10,14H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyUTDAALPFILJZSI-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.50
Rot. Bonds5

About 2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid

2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid (PubChem CID 61454882) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid
PubChem CID61454882
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C13H18N2O4S/c1-10(13(16)17)20(18,19)14-11-5-4-6-12(9-11)15-7-2-3-8-15/h4-6,9-10,14H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyUTDAALPFILJZSI-UHFFFAOYSA-N
XLogP1.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid
CID 61455047
2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 61454990
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
2-[(3-nitrophenyl)sulfamoyl]propanoic acid
CID 54947217
3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropanoic acid
CID 61454191
4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110426248
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid (CID 61454882) is 2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid?
The InChIKey is UTDAALPFILJZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10(13(16)17)20(18,19)14-11-5-4-6-12(9-11)15-7-2-3-8-15/h4-6,9-10,14H,2-3,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid?
2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid has a molecular weight of 298.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61454882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).