2-(2-chloro-5-sulfamoylanilino)propanoic acid

C9H11ClN2O4S — CID 66174535

IUPAC2-(2-chloro-5-sulfamoylanilino)propanoic acid
SMILESCC(Nc1cc(S(N)(=O)=O)ccc1Cl)C(=O)O
InChIInChI=1S/C9H11ClN2O4S/c1-5(9(13)14)12-8-4-6(17(11,15)16)2-3-7(8)10/h2-5,12H,1H3,(H,13,14)(H2,11,15,16)
InChIKeyFGXUOBFOUNGUHS-UHFFFAOYSA-N
MW278.72 g/mol
LogP0.87
Rot. Bonds4

About 2-(2-chloro-5-sulfamoylanilino)propanoic acid

2-(2-chloro-5-sulfamoylanilino)propanoic acid (PubChem CID 66174535) has the molecular formula C9H11ClN2O4S and a molecular weight of 278.72 g/mol. Its IUPAC name is 2-(2-chloro-5-sulfamoylanilino)propanoic acid.

Molecular Properties

Compound Name2-(2-chloro-5-sulfamoylanilino)propanoic acid
PubChem CID66174535
Molecular FormulaC9H11ClN2O4S
Molecular Weight278.72 g/mol
Exact Mass278.01
IUPAC Name2-(2-chloro-5-sulfamoylanilino)propanoic acid
SMILESCC(Nc1cc(S(N)(=O)=O)ccc1Cl)C(=O)O
InChIInChI=1S/C9H11ClN2O4S/c1-5(9(13)14)12-8-4-6(17(11,15)16)2-3-7(8)10/h2-5,12H,1H3,(H,13,14)(H2,11,15,16)
InChIKeyFGXUOBFOUNGUHS-UHFFFAOYSA-N
XLogP0.87
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide
CID 61178070
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 113489821
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852732
2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide
CID 82907013
4-chloro-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzenesulfonamide
CID 43745782
4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
CID 61132365
2-(2-sulfamoylanilino)propanoic acid
CID 43468805
4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide
CID 63751444
N-(2-chloro-5-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 61131080
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 107568676

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-sulfamoylanilino)propanoic acid?
The IUPAC name of 2-(2-chloro-5-sulfamoylanilino)propanoic acid (CID 66174535) is 2-(2-chloro-5-sulfamoylanilino)propanoic acid.
What is the SMILES notation for 2-(2-chloro-5-sulfamoylanilino)propanoic acid?
The canonical SMILES for 2-(2-chloro-5-sulfamoylanilino)propanoic acid is CC(Nc1cc(S(N)(=O)=O)ccc1Cl)C(=O)O.
What is the InChIKey of 2-(2-chloro-5-sulfamoylanilino)propanoic acid?
The InChIKey is FGXUOBFOUNGUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4S/c1-5(9(13)14)12-8-4-6(17(11,15)16)2-3-7(8)10/h2-5,12H,1H3,(H,13,14)(H2,11,15,16).
What are the key properties of 2-(2-chloro-5-sulfamoylanilino)propanoic acid?
2-(2-chloro-5-sulfamoylanilino)propanoic acid has a molecular weight of 278.72 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-sulfamoylanilino)propanoic acid is sourced from PubChem (CID 66174535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).