2-(2-sulfamoylanilino)propanoic acid

C9H12N2O4S — CID 43468805

IUPAC2-(2-sulfamoylanilino)propanoic acid
SMILESCC(Nc1ccccc1S(N)(=O)=O)C(=O)O
InChIInChI=1S/C9H12N2O4S/c1-6(9(12)13)11-7-4-2-3-5-8(7)16(10,14)15/h2-6,11H,1H3,(H,12,13)(H2,10,14,15)
InChIKeyUAQNFQARYDOXSK-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.22
Rot. Bonds4

About 2-(2-sulfamoylanilino)propanoic acid

2-(2-sulfamoylanilino)propanoic acid (PubChem CID 43468805) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(2-sulfamoylanilino)propanoic acid.

Molecular Properties

Compound Name2-(2-sulfamoylanilino)propanoic acid
PubChem CID43468805
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-(2-sulfamoylanilino)propanoic acid
SMILESCC(Nc1ccccc1S(N)(=O)=O)C(=O)O
InChIInChI=1S/C9H12N2O4S/c1-6(9(12)13)11-7-4-2-3-5-8(7)16(10,14)15/h2-6,11H,1H3,(H,12,13)(H2,10,14,15)
InChIKeyUAQNFQARYDOXSK-UHFFFAOYSA-N
XLogP0.22
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-((4-(Acetylamino)phenyl)sulfonyl)-2-piperidinecarboxylic acid
CID 2770165
2-(4-Acetamidobenzenesulfonamido)acetic acid
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2-(4-Acetylamino-benzenesulfonylamino)-butyric acid
CID 540360
[3-(4-Sulfamoyl-phenyl)-thioureido]-acetic acid
CID 10850981
{Carboxymethyl-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid
CID 11110737
(2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide
CID 11822212
N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine
CID 1898408
methyl N-{[4-(acetylamino)phenyl]sulfonyl}alaninate
CID 3245529
{(2-{Carboxymethyl-[(2-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-[(2-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid
CID 4056562
(S)-2-[3-(4-Sulfamoyl-phenyl)-thioureido]-propionic acid
CID 10590553
2-Methylamino-N-(2-sulfamoyl-phenyl)-acetamide
CID 10728925
2-Amino-N-[(2-sulfamoyl-phenylcarbamoyl)-methyl]-acetamide
CID 10803110

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfamoylanilino)propanoic acid?
The IUPAC name of 2-(2-sulfamoylanilino)propanoic acid (CID 43468805) is 2-(2-sulfamoylanilino)propanoic acid.
What is the SMILES notation for 2-(2-sulfamoylanilino)propanoic acid?
The canonical SMILES for 2-(2-sulfamoylanilino)propanoic acid is CC(Nc1ccccc1S(N)(=O)=O)C(=O)O.
What is the InChIKey of 2-(2-sulfamoylanilino)propanoic acid?
The InChIKey is UAQNFQARYDOXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-6(9(12)13)11-7-4-2-3-5-8(7)16(10,14)15/h2-6,11H,1H3,(H,12,13)(H2,10,14,15).
What are the key properties of 2-(2-sulfamoylanilino)propanoic acid?
2-(2-sulfamoylanilino)propanoic acid has a molecular weight of 244.27 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfamoylanilino)propanoic acid is sourced from PubChem (CID 43468805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).