4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid

C10H11Cl2NO4S — CID 2431656

IUPAC4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO4S/c11-8-4-3-7(6-9(8)12)18(16,17)13-5-1-2-10(14)15/h3-4,6,13H,1-2,5H2,(H,14,15)
InChIKeyREZJPEDFJOOXPV-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.14
Rot. Bonds6

About 4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid

4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid (PubChem CID 2431656) has the molecular formula C10H11Cl2NO4S and a molecular weight of 312.17 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid
PubChem CID2431656
Molecular FormulaC10H11Cl2NO4S
Molecular Weight312.17 g/mol
Exact Mass310.98
IUPAC Name4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO4S/c11-8-4-3-7(6-9(8)12)18(16,17)13-5-1-2-10(14)15/h3-4,6,13H,1-2,5H2,(H,14,15)
InChIKeyREZJPEDFJOOXPV-UHFFFAOYSA-N
XLogP2.14
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid?
The IUPAC name of 4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid (CID 2431656) is 4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid is O=C(O)CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid?
The InChIKey is REZJPEDFJOOXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO4S/c11-8-4-3-7(6-9(8)12)18(16,17)13-5-1-2-10(14)15/h3-4,6,13H,1-2,5H2,(H,14,15).
What are the key properties of 4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid?
4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid has a molecular weight of 312.17 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 2431656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).