4-sulfamoylbenzoyl chloride

C7H6ClNO3S — CID 7010340

IUPAC4-sulfamoylbenzoyl chloride
SMILESNS(=O)(=O)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C7H6ClNO3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H,(H2,9,11,12)
InChIKeySOSVTEHBZNSARP-UHFFFAOYSA-N
MW219.65 g/mol
LogP0.71
Rot. Bonds2

About 4-sulfamoylbenzoyl chloride

4-sulfamoylbenzoyl chloride (PubChem CID 7010340) has the molecular formula C7H6ClNO3S and a molecular weight of 219.65 g/mol. Its IUPAC name is 4-sulfamoylbenzoyl chloride.

Molecular Properties

Compound Name4-sulfamoylbenzoyl chloride
PubChem CID7010340
Molecular FormulaC7H6ClNO3S
Molecular Weight219.65 g/mol
Exact Mass218.98
IUPAC Name4-sulfamoylbenzoyl chloride
SMILESNS(=O)(=O)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C7H6ClNO3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H,(H2,9,11,12)
InChIKeySOSVTEHBZNSARP-UHFFFAOYSA-N
XLogP0.71
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-sulfamoylbenzoyl chloride?
The IUPAC name of 4-sulfamoylbenzoyl chloride (CID 7010340) is 4-sulfamoylbenzoyl chloride.
What is the SMILES notation for 4-sulfamoylbenzoyl chloride?
The canonical SMILES for 4-sulfamoylbenzoyl chloride is NS(=O)(=O)c1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-sulfamoylbenzoyl chloride?
The InChIKey is SOSVTEHBZNSARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H,(H2,9,11,12).
What are the key properties of 4-sulfamoylbenzoyl chloride?
4-sulfamoylbenzoyl chloride has a molecular weight of 219.65 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoylbenzoyl chloride is sourced from PubChem (CID 7010340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).