2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid

C12H9F2NO4S2 — CID 43363772

IUPAC2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(F)ccc(S(=O)(=O)NCc2cccs2)c1F
InChIInChI=1S/C12H9F2NO4S2/c13-8-3-4-9(11(14)10(8)12(16)17)21(18,19)15-6-7-2-1-5-20-7/h1-5,15H,6H2,(H,16,17)
InChIKeyJTDHOUJHGXFJNZ-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.20
Rot. Bonds5

About 2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid

2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid (PubChem CID 43363772) has the molecular formula C12H9F2NO4S2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
PubChem CID43363772
Molecular FormulaC12H9F2NO4S2
Molecular Weight333.34 g/mol
Exact Mass332.99
IUPAC Name2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(F)ccc(S(=O)(=O)NCc2cccs2)c1F
InChIInChI=1S/C12H9F2NO4S2/c13-8-3-4-9(11(14)10(8)12(16)17)21(18,19)15-6-7-2-1-5-20-7/h1-5,15H,6H2,(H,16,17)
InChIKeyJTDHOUJHGXFJNZ-UHFFFAOYSA-N
XLogP2.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid
CID 61285438
2,6-difluoro-3-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid
CID 4609431
2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid
CID 30054012
2,6-difluoro-3-[3-(methylamino)propylsulfamoyl]benzoic acid
CID 61404116
5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803440
3-methoxy-4-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 102694688
5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid
CID 43242554
3-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43363753
5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43258948
4-bromo-3-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 104654364
4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43242507
4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide
CID 35582526

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid (CID 43363772) is 2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid is O=C(O)c1c(F)ccc(S(=O)(=O)NCc2cccs2)c1F.
What is the InChIKey of 2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid?
The InChIKey is JTDHOUJHGXFJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO4S2/c13-8-3-4-9(11(14)10(8)12(16)17)21(18,19)15-6-7-2-1-5-20-7/h1-5,15H,6H2,(H,16,17).
What are the key properties of 2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid?
2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid has a molecular weight of 333.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 43363772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).