3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid

C14H22N2O4S — CID 43715678

IUPAC3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid
SMILESCCN(CC)Cc1ccccc1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C14H22N2O4S/c1-3-16(4-2)11-12-7-5-6-8-13(12)15-21(19,20)10-9-14(17)18/h5-8,15H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyGNWKSFWLCSVOPO-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.74
Rot. Bonds9

About 3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid

3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid (PubChem CID 43715678) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid
PubChem CID43715678
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid
SMILESCCN(CC)Cc1ccccc1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C14H22N2O4S/c1-3-16(4-2)11-12-7-5-6-8-13(12)15-21(19,20)10-9-14(17)18/h5-8,15H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyGNWKSFWLCSVOPO-UHFFFAOYSA-N
XLogP1.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[[acetyl(methyl)amino]methyl]phenyl]sulfamoyl]propanoic acid
CID 43708606
1-(diethylaminomethyl)-2-(sulfamoylamino)benzene
CID 112573513
3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid
CID 43361847
3-[(2-ethylsulfanylphenyl)sulfamoyl]propanoic acid
CID 60933758
2-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]acetic acid
CID 43362203
3-[(2,6-diethylphenyl)sulfamoyl]propanoic acid
CID 28514287
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86934936
3-[(4-bromo-2-ethylphenyl)sulfamoyl]propanoic acid
CID 81292251
2-[2-(diethylsulfamoylamino)phenyl]acetic acid
CID 62535925
4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
3-[2-(diethylaminomethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898009
3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid
CID 43699684

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid (CID 43715678) is 3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid is CCN(CC)Cc1ccccc1NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid?
The InChIKey is GNWKSFWLCSVOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-16(4-2)11-12-7-5-6-8-13(12)15-21(19,20)10-9-14(17)18/h5-8,15H,3-4,9-11H2,1-2H3,(H,17,18).
What are the key properties of 3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid?
3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid has a molecular weight of 314.41 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 43715678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).