4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid

C11H12Cl2N2O5S — CID 126508712

IUPAC4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid
SMILESNS(=O)(=O)c1cc(C(=O)NCCCC(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O5S/c12-7-5-8(13)9(21(14,19)20)4-6(7)11(18)15-3-1-2-10(16)17/h4-5H,1-3H2,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyAZHHAHHRNOQVSO-UHFFFAOYSA-N
MW355.20 g/mol
LogP1.24
Rot. Bonds6

About 4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid

4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid (PubChem CID 126508712) has the molecular formula C11H12Cl2N2O5S and a molecular weight of 355.20 g/mol. Its IUPAC name is 4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid
PubChem CID126508712
Molecular FormulaC11H12Cl2N2O5S
Molecular Weight355.20 g/mol
Exact Mass353.98
IUPAC Name4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid
SMILESNS(=O)(=O)c1cc(C(=O)NCCCC(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O5S/c12-7-5-8(13)9(21(14,19)20)4-6(7)11(18)15-3-1-2-10(16)17/h4-5H,1-3H2,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyAZHHAHHRNOQVSO-UHFFFAOYSA-N
XLogP1.24
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 34852311
2,4-dichloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
CID 12698192
2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 21189414
2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide
CID 60635034
N-benzyl-2,4-dichloro-5-sulfamoylbenzamide
CID 126507182
3-[(2,4-Dichloro-5-sulfamoyl-benzoyl)amino]propyl acetate
CID 126507183
2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoyl-benzamide
CID 126508709
Methyl 4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoate
CID 126508879
N-benzyl-2,4-dichloro-5-[(dimethylamino)sulfonyl]benzamide
CID 2171497
3-(4-Chloro-3-sulfamoyl-benzoylamino)-propionic acid
CID 44295070
(4-Chloro-3-sulfamoyl-benzoylamino)-acetic acid
CID 44295071
(S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-methyl-butyric acid
CID 44295335

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid?
The IUPAC name of 4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid (CID 126508712) is 4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid?
The canonical SMILES for 4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid is NS(=O)(=O)c1cc(C(=O)NCCCC(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid?
The InChIKey is AZHHAHHRNOQVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O5S/c12-7-5-8(13)9(21(14,19)20)4-6(7)11(18)15-3-1-2-10(16)17/h4-5H,1-3H2,(H,15,18)(H,16,17)(H2,14,19,20).
What are the key properties of 4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid?
4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid has a molecular weight of 355.20 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoic acid is sourced from PubChem (CID 126508712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).