4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid

C11H6BrCl2NO4S2 — CID 63405367

IUPAC4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(Br)cc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H6BrCl2NO4S2/c12-5-1-2-6(11(16)17)7(3-5)15-21(18,19)8-4-9(13)20-10(8)14/h1-4,15H,(H,16,17)
InChIKeyIQLFPQPEHOOHDT-UHFFFAOYSA-N
MW431.12 g/mol
LogP4.32
Rot. Bonds4

About 4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid

4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid (PubChem CID 63405367) has the molecular formula C11H6BrCl2NO4S2 and a molecular weight of 431.12 g/mol. Its IUPAC name is 4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
PubChem CID63405367
Molecular FormulaC11H6BrCl2NO4S2
Molecular Weight431.12 g/mol
Exact Mass428.83
IUPAC Name4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(Br)cc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H6BrCl2NO4S2/c12-5-1-2-6(11(16)17)7(3-5)15-21(18,19)8-4-9(13)20-10(8)14/h1-4,15H,(H,16,17)
InChIKeyIQLFPQPEHOOHDT-UHFFFAOYSA-N
XLogP4.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.12
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43090882
4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 60916262
N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 3773428
4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43235977
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid
CID 107264953
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654634
2,5-dichloro-N-(4-chloro-2-hydroxyphenyl)thiophene-3-sulfonamide
CID 81433543
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide
CID 18282859
2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide
CID 112839269
4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzamide
CID 34973303
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 113349554

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid (CID 63405367) is 4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid is O=C(O)c1ccc(Br)cc1NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid?
The InChIKey is IQLFPQPEHOOHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2NO4S2/c12-5-1-2-6(11(16)17)7(3-5)15-21(18,19)8-4-9(13)20-10(8)14/h1-4,15H,(H,16,17).
What are the key properties of 4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid?
4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid has a molecular weight of 431.12 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 63405367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).