3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid

C11H7BrClNO5S2 — CID 107264939

IUPAC3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(NS(=O)(=O)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C11H7BrClNO5S2/c12-10-6(13)4-9(20-10)21(18,19)14-7-3-5(11(16)17)1-2-8(7)15/h1-4,14-15H,(H,16,17)
InChIKeyZVFCFBNKYXALEU-UHFFFAOYSA-N
MW412.67 g/mol
LogP3.37
Rot. Bonds4

About 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid

3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid (PubChem CID 107264939) has the molecular formula C11H7BrClNO5S2 and a molecular weight of 412.67 g/mol. Its IUPAC name is 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid
PubChem CID107264939
Molecular FormulaC11H7BrClNO5S2
Molecular Weight412.67 g/mol
Exact Mass410.86
IUPAC Name3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(NS(=O)(=O)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C11H7BrClNO5S2/c12-10-6(13)4-9(20-10)21(18,19)14-7-3-5(11(16)17)1-2-8(7)15/h1-4,14-15H,(H,16,17)
InChIKeyZVFCFBNKYXALEU-UHFFFAOYSA-N
XLogP3.37
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.67
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid
CID 80577224
4-bromo-3-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 103866901
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid
CID 107264953
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 104740611
5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 80578641
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917
5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
CID 80578616
5-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)thiophene-2-sulfonamide
CID 80577587
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 107787372
5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide
CID 114296086
5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide
CID 114764783
3-[[2-(1-benzothiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-4-hydroxybenzoic acid
CID 70326777

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid?
The IUPAC name of 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid (CID 107264939) is 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid is O=C(O)c1ccc(O)c(NS(=O)(=O)c2cc(Cl)c(Br)s2)c1.
What is the InChIKey of 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid?
The InChIKey is ZVFCFBNKYXALEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO5S2/c12-10-6(13)4-9(20-10)21(18,19)14-7-3-5(11(16)17)1-2-8(7)15/h1-4,14-15H,(H,16,17).
What are the key properties of 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid?
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid has a molecular weight of 412.67 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid is sourced from PubChem (CID 107264939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).