4-(dichlorosulfamoyl)benzoic acid

C7H5Cl2NO4S — CID 3552

IUPAC4-(dichlorosulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1
InChIInChI=1S/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)
InChIKeyXPDVQPODLRGWPL-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.68
Rot. Bonds3

About 4-(dichlorosulfamoyl)benzoic acid

4-(dichlorosulfamoyl)benzoic acid (PubChem CID 3552) has the molecular formula C7H5Cl2NO4S and a molecular weight of 270.09 g/mol. Its IUPAC name is 4-(dichlorosulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(dichlorosulfamoyl)benzoic acid
PubChem CID3552
Molecular FormulaC7H5Cl2NO4S
Molecular Weight270.09 g/mol
Exact Mass268.93
IUPAC Name4-(dichlorosulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1
InChIInChI=1S/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)
InChIKeyXPDVQPODLRGWPL-UHFFFAOYSA-N
XLogP1.68
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(dichlorosulfamoyl)benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

Probenecid
CID 4911
Carzenide
CID 8739
4-((Diethylamino)sulfonyl)benzoic acid
CID 14604
2-Sulfamoylbenzoic acid
CID 69436
4-Sulfobenzoic acid
CID 69469
2-Sulfobenzoic acid
CID 12438
Methyl 4-sulphamoylbenzoate
CID 89847
4-Mercaptobenzoic acid
CID 95738
4-(Pyrrolidine-1-sulfonyl)benzoic acid
CID 763651
Benzoic acid, 4-(phenylsulfonyl)-
CID 79322
Benzoic acid, 3-(chlorosulfonyl)-
CID 77641
2-(Hydroxysulfamoyl)benzoic acid
CID 23645548

Frequently Asked Questions

What is the IUPAC name of 4-(dichlorosulfamoyl)benzoic acid?
The IUPAC name of 4-(dichlorosulfamoyl)benzoic acid (CID 3552) is 4-(dichlorosulfamoyl)benzoic acid.
What is the SMILES notation for 4-(dichlorosulfamoyl)benzoic acid?
The canonical SMILES for 4-(dichlorosulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1.
What is the InChIKey of 4-(dichlorosulfamoyl)benzoic acid?
The InChIKey is XPDVQPODLRGWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12).
What are the key properties of 4-(dichlorosulfamoyl)benzoic acid?
4-(dichlorosulfamoyl)benzoic acid has a molecular weight of 270.09 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dichlorosulfamoyl)benzoic acid is sourced from PubChem (CID 3552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).