2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid

C9H5F2N3O4S2 — CID 114911881

IUPAC2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(F)ccc(S(=O)(=O)Nc2cnns2)c1F
InChIInChI=1S/C9H5F2N3O4S2/c10-4-1-2-5(8(11)7(4)9(15)16)20(17,18)13-6-3-12-14-19-6/h1-3,13H,(H,15,16)
InChIKeyIQGFGTZIOOFXPJ-UHFFFAOYSA-N
MW321.29 g/mol
LogP1.32
Rot. Bonds4

About 2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid

2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid (PubChem CID 114911881) has the molecular formula C9H5F2N3O4S2 and a molecular weight of 321.29 g/mol. Its IUPAC name is 2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid
PubChem CID114911881
Molecular FormulaC9H5F2N3O4S2
Molecular Weight321.29 g/mol
Exact Mass320.97
IUPAC Name2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(F)ccc(S(=O)(=O)Nc2cnns2)c1F
InChIInChI=1S/C9H5F2N3O4S2/c10-4-1-2-5(8(11)7(4)9(15)16)20(17,18)13-6-3-12-14-19-6/h1-3,13H,(H,15,16)
InChIKeyIQGFGTZIOOFXPJ-UHFFFAOYSA-N
XLogP1.32
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 60712743
5-(thiadiazol-5-ylsulfamoyl)thiophene-3-carboxylic acid
CID 114911893
3-chlorosulfonyl-2,6-difluorobenzoic acid
CID 3304796
2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid
CID 30054012
2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid
CID 61285438
2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43363772
2,6-difluoro-3-[3-(methylamino)propylsulfamoyl]benzoic acid
CID 61404116
3-(2,2-difluoroethylsulfonyl)-2,6-difluorobenzoic acid
CID 54939186
2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid
CID 4609431
2,6-difluoro-3-(hexan-2-ylsulfamoyl)benzoic acid
CID 62199651
3-(2,3-dihydroxypropylsulfonyl)-2,6-difluorobenzoic acid
CID 82851072
2,6-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylsulfonyl]benzoic acid
CID 63019781

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid?
The IUPAC name of 2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid (CID 114911881) is 2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid is O=C(O)c1c(F)ccc(S(=O)(=O)Nc2cnns2)c1F.
What is the InChIKey of 2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid?
The InChIKey is IQGFGTZIOOFXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N3O4S2/c10-4-1-2-5(8(11)7(4)9(15)16)20(17,18)13-6-3-12-14-19-6/h1-3,13H,(H,15,16).
What are the key properties of 2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid?
2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid has a molecular weight of 321.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 114911881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).