5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid

C11H6BrF2NO4S2 — CID 43475078

IUPAC5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)s1
InChIInChI=1S/C11H6BrF2NO4S2/c12-6-3-5(13)4-7(14)10(6)21(18,19)15-9-2-1-8(20-9)11(16)17/h1-4,15H,(H,16,17)
InChIKeyXMDJOMXJCZWNJS-UHFFFAOYSA-N
MW398.21 g/mol
LogP3.29
Rot. Bonds4

About 5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid

5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 43475078) has the molecular formula C11H6BrF2NO4S2 and a molecular weight of 398.21 g/mol. Its IUPAC name is 5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID43475078
Molecular FormulaC11H6BrF2NO4S2
Molecular Weight398.21 g/mol
Exact Mass396.89
IUPAC Name5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)s1
InChIInChI=1S/C11H6BrF2NO4S2/c12-6-3-5(13)4-7(14)10(6)21(18,19)15-9-2-1-8(20-9)11(16)17/h1-4,15H,(H,16,17)
InChIKeyXMDJOMXJCZWNJS-UHFFFAOYSA-N
XLogP3.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.21
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43474985
2-bromo-N-(2,5-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 63422484
2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 60640704
2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394148
4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25342673
3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
2-bromo-4,6-difluoro-N-(2-methylphenyl)benzenesulfonamide
CID 26952261
2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide
CID 26951704
2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide
CID 60822685
5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82888796
2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 40645404
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 43237791

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid (CID 43475078) is 5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid is O=C(O)c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)s1.
What is the InChIKey of 5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is XMDJOMXJCZWNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF2NO4S2/c12-6-3-5(13)4-7(14)10(6)21(18,19)15-9-2-1-8(20-9)11(16)17/h1-4,15H,(H,16,17).
What are the key properties of 5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid?
5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 398.21 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43475078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).