4-chloro-3-sulfamoylbenzoic acid

C7H6ClNO4S — CID 14568

IUPAC4-chloro-3-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C7H6ClNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)
InChIKeyFHQAWINGVCDTTG-UHFFFAOYSA-N
MW235.65 g/mol
LogP0.69
Rot. Bonds2

About 4-chloro-3-sulfamoylbenzoic acid

4-chloro-3-sulfamoylbenzoic acid (PubChem CID 14568) has the molecular formula C7H6ClNO4S and a molecular weight of 235.65 g/mol. Its IUPAC name is 4-chloro-3-sulfamoylbenzoic acid.

Molecular Properties

Compound Name4-chloro-3-sulfamoylbenzoic acid
PubChem CID14568
Molecular FormulaC7H6ClNO4S
Molecular Weight235.65 g/mol
Exact Mass234.97
IUPAC Name4-chloro-3-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C7H6ClNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)
InChIKeyFHQAWINGVCDTTG-UHFFFAOYSA-N
XLogP0.69
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-sulfamoylbenzoic acid?
The IUPAC name of 4-chloro-3-sulfamoylbenzoic acid (CID 14568) is 4-chloro-3-sulfamoylbenzoic acid.
What is the SMILES notation for 4-chloro-3-sulfamoylbenzoic acid?
The canonical SMILES for 4-chloro-3-sulfamoylbenzoic acid is NS(=O)(=O)c1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-sulfamoylbenzoic acid?
The InChIKey is FHQAWINGVCDTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13).
What are the key properties of 4-chloro-3-sulfamoylbenzoic acid?
4-chloro-3-sulfamoylbenzoic acid has a molecular weight of 235.65 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-sulfamoylbenzoic acid is sourced from PubChem (CID 14568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).