2-chloro-4-fluoro-5-sulfamoylbenzoic acid

C7H5ClFNO4S — CID 4241546

IUPAC2-chloro-4-fluoro-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F
InChIInChI=1S/C7H5ClFNO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
InChIKeyDDGOQDDPEWYVRD-UHFFFAOYSA-N
MW253.64 g/mol
LogP0.82
Rot. Bonds2

About 2-chloro-4-fluoro-5-sulfamoylbenzoic acid

2-chloro-4-fluoro-5-sulfamoylbenzoic acid (PubChem CID 4241546) has the molecular formula C7H5ClFNO4S and a molecular weight of 253.64 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-sulfamoylbenzoic acid
PubChem CID4241546
Molecular FormulaC7H5ClFNO4S
Molecular Weight253.64 g/mol
Exact Mass252.96
IUPAC Name2-chloro-4-fluoro-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F
InChIInChI=1S/C7H5ClFNO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
InChIKeyDDGOQDDPEWYVRD-UHFFFAOYSA-N
XLogP0.82
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-sulfamoylbenzoic acid?
The IUPAC name of 2-chloro-4-fluoro-5-sulfamoylbenzoic acid (CID 4241546) is 2-chloro-4-fluoro-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-chloro-4-fluoro-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-chloro-4-fluoro-5-sulfamoylbenzoic acid is NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F.
What is the InChIKey of 2-chloro-4-fluoro-5-sulfamoylbenzoic acid?
The InChIKey is DDGOQDDPEWYVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14).
What are the key properties of 2-chloro-4-fluoro-5-sulfamoylbenzoic acid?
2-chloro-4-fluoro-5-sulfamoylbenzoic acid has a molecular weight of 253.64 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-sulfamoylbenzoic acid is sourced from PubChem (CID 4241546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).