2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid

C11H9NO5S2 — CID 104833093

IUPAC2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2cccs2)c1O
InChIInChI=1S/C11H9NO5S2/c13-10-7(11(14)15)3-1-4-8(10)12-19(16,17)9-5-2-6-18-9/h1-6,12-13H,(H,14,15)
InChIKeyPGQBNIQRLXCJAL-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.95
Rot. Bonds4

About 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid

2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid (PubChem CID 104833093) has the molecular formula C11H9NO5S2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
PubChem CID104833093
Molecular FormulaC11H9NO5S2
Molecular Weight299.33 g/mol
Exact Mass298.99
IUPAC Name2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2cccs2)c1O
InChIInChI=1S/C11H9NO5S2/c13-10-7(11(14)15)3-1-4-8(10)12-19(16,17)9-5-2-6-18-9/h1-6,12-13H,(H,14,15)
InChIKeyPGQBNIQRLXCJAL-UHFFFAOYSA-N
XLogP1.95
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.95
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

methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate
CID 108783728
N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81497250
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
3-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 161390191
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 106265871
3-[(4-bromo-5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 66799929
methyl 2-hydroxy-3-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]benzoate
CID 56543247
2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
CID 54711268
2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30906041
butyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 18157559
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid (CID 104833093) is 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2cccs2)c1O.
What is the InChIKey of 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid?
The InChIKey is PGQBNIQRLXCJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5S2/c13-10-7(11(14)15)3-1-4-8(10)12-19(16,17)9-5-2-6-18-9/h1-6,12-13H,(H,14,15).
What are the key properties of 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid?
2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid has a molecular weight of 299.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 104833093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).