2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid

C11H6BrCl2NO4S2 — CID 80577224

IUPAC2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H6BrCl2NO4S2/c12-10-7(14)4-9(20-10)21(18,19)15-8-3-5(13)1-2-6(8)11(16)17/h1-4,15H,(H,16,17)
InChIKeyUTIKUJJKXVIEGN-UHFFFAOYSA-N
MW431.12 g/mol
LogP4.32
Rot. Bonds4

About 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid

2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid (PubChem CID 80577224) has the molecular formula C11H6BrCl2NO4S2 and a molecular weight of 431.12 g/mol. Its IUPAC name is 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid
PubChem CID80577224
Molecular FormulaC11H6BrCl2NO4S2
Molecular Weight431.12 g/mol
Exact Mass428.83
IUPAC Name2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H6BrCl2NO4S2/c12-10-7(14)4-9(20-10)21(18,19)15-8-3-5(13)1-2-6(8)11(16)17/h1-4,15H,(H,16,17)
InChIKeyUTIKUJJKXVIEGN-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

4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 103099599
5-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)thiophene-2-sulfonamide
CID 80577587
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid
CID 107264939
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 104740611
4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 60916262
5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 80578641
4-chloro-2-(methylsulfamoylamino)benzoic acid
CID 114805243
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917
5-[(2-bromo-5-chlorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 81269683
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-chlorobenzenecarbothioamide
CID 64918102
5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
CID 80578616
5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43351434

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid?
The IUPAC name of 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid (CID 80577224) is 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid.
What is the SMILES notation for 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid?
The canonical SMILES for 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid is O=C(O)c1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid?
The InChIKey is UTIKUJJKXVIEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2NO4S2/c12-10-7(14)4-9(20-10)21(18,19)15-8-3-5(13)1-2-6(8)11(16)17/h1-4,15H,(H,16,17).
What are the key properties of 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid?
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic 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 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid is sourced from PubChem (CID 80577224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).