3-[4-(sulfamoylamino)phenyl]propanoic acid

C9H12N2O4S — CID 114959005

IUPAC3-[4-(sulfamoylamino)phenyl]propanoic acid
SMILESNS(=O)(=O)Nc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C9H12N2O4S/c10-16(14,15)11-8-4-1-7(2-5-8)3-6-9(12)13/h1-2,4-5,11H,3,6H2,(H,12,13)(H2,10,14,15)
InChIKeyPTPASHVLFBGHSL-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.32
Rot. Bonds5

About 3-[4-(sulfamoylamino)phenyl]propanoic acid

3-[4-(sulfamoylamino)phenyl]propanoic acid (PubChem CID 114959005) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-[4-(sulfamoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(sulfamoylamino)phenyl]propanoic acid
PubChem CID114959005
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name3-[4-(sulfamoylamino)phenyl]propanoic acid
SMILESNS(=O)(=O)Nc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C9H12N2O4S/c10-16(14,15)11-8-4-1-7(2-5-8)3-6-9(12)13/h1-2,4-5,11H,3,6H2,(H,12,13)(H2,10,14,15)
InChIKeyPTPASHVLFBGHSL-UHFFFAOYSA-N
XLogP0.32
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid
CID 105360943
3-[4-(pyrrolidin-1-ylsulfonylamino)phenyl]propanoic acid
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3-[4-(carboniodidoylamino)phenyl]propanoic acid
CID 145154280
3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid
CID 17341594
3-[4-(carbamothioylamino)phenyl]propanoic acid
CID 23224886
3-[4-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid
CID 115339524
3-[4-[(4-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8860708
3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride
CID 54611935
3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid
CID 24580865
3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid
CID 9234830
4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid
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3-[4-(2-hydroxyethylsulfonyl)phenyl]propanoic acid
CID 43140844

Frequently Asked Questions

What is the IUPAC name of 3-[4-(sulfamoylamino)phenyl]propanoic acid?
The IUPAC name of 3-[4-(sulfamoylamino)phenyl]propanoic acid (CID 114959005) is 3-[4-(sulfamoylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(sulfamoylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(sulfamoylamino)phenyl]propanoic acid is NS(=O)(=O)Nc1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-(sulfamoylamino)phenyl]propanoic acid?
The InChIKey is PTPASHVLFBGHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c10-16(14,15)11-8-4-1-7(2-5-8)3-6-9(12)13/h1-2,4-5,11H,3,6H2,(H,12,13)(H2,10,14,15).
What are the key properties of 3-[4-(sulfamoylamino)phenyl]propanoic acid?
3-[4-(sulfamoylamino)phenyl]propanoic acid has a molecular weight of 244.27 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(sulfamoylamino)phenyl]propanoic acid is sourced from PubChem (CID 114959005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).