2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid

C11H14N2O5S — CID 91215602

IUPAC2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid
SMILESCCC(C(=O)O)C(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H14N2O5S/c1-2-7(11(15)16)10(14)13-8-5-3-4-6-9(8)19(12,17)18/h3-7H,2H2,1H3,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyWDIRZXCJAUIECY-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.38
Rot. Bonds5

About 2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid

2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid (PubChem CID 91215602) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid.

Molecular Properties

Compound Name2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid
PubChem CID91215602
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid
SMILESCCC(C(=O)O)C(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H14N2O5S/c1-2-7(11(15)16)10(14)13-8-5-3-4-6-9(8)19(12,17)18/h3-7H,2H2,1H3,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyWDIRZXCJAUIECY-UHFFFAOYSA-N
XLogP0.38
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-oxo-3-(2-sulfamoylanilino)propanoic acid
CID 114898170
1-propan-2-yl-3-(2-sulfamoylphenyl)urea
CID 61131721
2-(2-sulfamoylanilino)propanoic acid
CID 43468805
3-(2-ethylsulfonylanilino)-2-methyl-3-oxopropanoic acid
CID 114898053
3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid
CID 62964751
4-oxo-4-(2-sulfamoylanilino)butanoic acid
CID 61129519
(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
CID 61164806
2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide
CID 65230250
3-amino-N-(2-sulfamoylphenyl)propanamide
CID 10705385
3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide
CID 61129572
butyl N-(2-sulfamoylphenyl)carbamate
CID 140550140
1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea
CID 61131953

Frequently Asked Questions

What is the IUPAC name of 2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid?
The IUPAC name of 2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid (CID 91215602) is 2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid.
What is the SMILES notation for 2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid?
The canonical SMILES for 2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid is CCC(C(=O)O)C(=O)Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid?
The InChIKey is WDIRZXCJAUIECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-2-7(11(15)16)10(14)13-8-5-3-4-6-9(8)19(12,17)18/h3-7H,2H2,1H3,(H,13,14)(H,15,16)(H2,12,17,18).
What are the key properties of 2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid?
2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid has a molecular weight of 286.31 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid is sourced from PubChem (CID 91215602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).