3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

C11H6ClF2NO4S2 — CID 83073347

IUPAC3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H6ClF2NO4S2/c12-6-3-5(13)4-7(14)9(6)15-21(18,19)8-1-2-20-10(8)11(16)17/h1-4,15H,(H,16,17)
InChIKeyXBZAOCHRSCVICP-UHFFFAOYSA-N
MW353.76 g/mol
LogP3.18
Rot. Bonds4

About 3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 83073347) has the molecular formula C11H6ClF2NO4S2 and a molecular weight of 353.76 g/mol. Its IUPAC name is 3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID83073347
Molecular FormulaC11H6ClF2NO4S2
Molecular Weight353.76 g/mol
Exact Mass352.94
IUPAC Name3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H6ClF2NO4S2/c12-6-3-5(13)4-7(14)9(6)15-21(18,19)8-1-2-20-10(8)11(16)17/h1-4,15H,(H,16,17)
InChIKeyXBZAOCHRSCVICP-UHFFFAOYSA-N
XLogP3.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.76
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82888796
3-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235706
3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62811245
3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090747
3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235697
3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235732
3-[(3-chloro-4-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235749
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235705
N-(2-chloro-4,6-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 83088230
2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide
CID 83072869
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
CID 83004979

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 83073347) is 3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is XBZAOCHRSCVICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF2NO4S2/c12-6-3-5(13)4-7(14)9(6)15-21(18,19)8-1-2-20-10(8)11(16)17/h1-4,15H,(H,16,17).
What are the key properties of 3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 353.76 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 83073347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).