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

C11H7Cl2NO5S2 — CID 107264953

IUPAC3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C11H7Cl2NO5S2/c12-9-4-8(10(13)20-9)21(18,19)14-6-3-5(11(16)17)1-2-7(6)15/h1-4,14-15H,(H,16,17)
InChIKeyVGEYYSQUQSZBCD-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.26
Rot. Bonds4

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

3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid (PubChem CID 107264953) has the molecular formula C11H7Cl2NO5S2 and a molecular weight of 368.22 g/mol. Its IUPAC name is 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid
PubChem CID107264953
Molecular FormulaC11H7Cl2NO5S2
Molecular Weight368.22 g/mol
Exact Mass366.91
IUPAC Name3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C11H7Cl2NO5S2/c12-9-4-8(10(13)20-9)21(18,19)14-6-3-5(11(16)17)1-2-7(6)15/h1-4,14-15H,(H,16,17)
InChIKeyVGEYYSQUQSZBCD-UHFFFAOYSA-N
XLogP3.26
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43235977
4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzamide
CID 34973303
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43090882
2,5-dichloro-N-(4-chloro-2-hydroxyphenyl)thiophene-3-sulfonamide
CID 81433543
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid
CID 107264939
4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 63405367
2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide
CID 64781655
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
CID 56798482
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
4-bromo-3-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 103866901
ethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate
CID 36619450
2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide
CID 18282859

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid?
The IUPAC name of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid (CID 107264953) is 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid is O=C(O)c1ccc(O)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid?
The InChIKey is VGEYYSQUQSZBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO5S2/c12-9-4-8(10(13)20-9)21(18,19)14-6-3-5(11(16)17)1-2-7(6)15/h1-4,14-15H,(H,16,17).
What are the key properties of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid?
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid has a molecular weight of 368.22 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid is sourced from PubChem (CID 107264953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).