3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid

C11H6Br3NO4S2 — CID 63408850

IUPAC3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(Br)cc(Br)c1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H6Br3NO4S2/c12-5-3-6(10(16)17)9(8(14)4-5)15-21(18,19)11-7(13)1-2-20-11/h1-4,15H,(H,16,17)
InChIKeyLKFHJSHCHIELFB-UHFFFAOYSA-N
MW520.02 g/mol
LogP4.53
Rot. Bonds4

About 3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid

3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid (PubChem CID 63408850) has the molecular formula C11H6Br3NO4S2 and a molecular weight of 520.02 g/mol. Its IUPAC name is 3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid
PubChem CID63408850
Molecular FormulaC11H6Br3NO4S2
Molecular Weight520.02 g/mol
Exact Mass516.73
IUPAC Name3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(Br)cc(Br)c1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H6Br3NO4S2/c12-5-3-6(10(16)17)9(8(14)4-5)15-21(18,19)11-7(13)1-2-20-11/h1-4,15H,(H,16,17)
InChIKeyLKFHJSHCHIELFB-UHFFFAOYSA-N
XLogP4.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.02
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
CID 61456465
5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid
CID 61458150
2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 61061552
3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid
CID 63111776
3,5-dibromo-2-[(3-methoxy-3-oxopropyl)sulfonylamino]benzoic acid
CID 63111808
3,5-dibromo-2-(2-methoxyethylsulfonylamino)benzoic acid
CID 63111807
6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643093
5-[(3-bromothiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 61458183
3,5-dibromo-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79592438
2-(benzenesulfonamido)-3,5-dibromobenzamide
CID 155816192
3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
CID 54951923
2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide
CID 61062884

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid?
The IUPAC name of 3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid (CID 63408850) is 3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid is O=C(O)c1cc(Br)cc(Br)c1NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid?
The InChIKey is LKFHJSHCHIELFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br3NO4S2/c12-5-3-6(10(16)17)9(8(14)4-5)15-21(18,19)11-7(13)1-2-20-11/h1-4,15H,(H,16,17).
What are the key properties of 3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid?
3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid has a molecular weight of 520.02 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 63408850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).