5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

C11H6ClF2NO4S2 — CID 82888796

IUPAC5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)s1
InChIInChI=1S/C11H6ClF2NO4S2/c12-6-3-5(13)4-7(14)10(6)15-21(18,19)9-2-1-8(20-9)11(16)17/h1-4,15H,(H,16,17)
InChIKeyXYYFQICUOAFFSB-UHFFFAOYSA-N
MW353.76 g/mol
LogP3.18
Rot. Bonds4

About 5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 82888796) has the molecular formula C11H6ClF2NO4S2 and a molecular weight of 353.76 g/mol. Its IUPAC name is 5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID82888796
Molecular FormulaC11H6ClF2NO4S2
Molecular Weight353.76 g/mol
Exact Mass352.94
IUPAC Name5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)s1
InChIInChI=1S/C11H6ClF2NO4S2/c12-6-3-5(13)4-7(14)10(6)15-21(18,19)9-2-1-8(20-9)11(16)17/h1-4,15H,(H,16,17)
InChIKeyXYYFQICUOAFFSB-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-[(5-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026497
3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 83073347
5-[(2-chloro-6-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66257029
5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026864
5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027238
5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026479
N-(2-chloro-4,6-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 83088230
5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026611
5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
CID 106074625
2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide
CID 83072869
5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027646
5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907564

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 82888796) is 5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)s1.
What is the InChIKey of 5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is XYYFQICUOAFFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF2NO4S2/c12-6-3-5(13)4-7(14)10(6)15-21(18,19)9-2-1-8(20-9)11(16)17/h1-4,15H,(H,16,17).
What are the key properties of 5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[(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 5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 82888796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).