2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate

C11H8NO5S2- — CID 54711268

IUPAC2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccs2)ccc1[O-]
InChIInChI=1S/C11H9NO5S2/c13-9-4-3-7(6-8(9)11(14)15)12-19(16,17)10-2-1-5-18-10/h1-6,12-13H,(H,14,15)/p-1
InChIKeyAVIOICZIPMVMFG-UHFFFAOYSA-M
MW298.32 g/mol
LogP1.32
Rot. Bonds4

About 2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate

2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate (PubChem CID 54711268) has the molecular formula C11H8NO5S2- and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate.

Molecular Properties

Compound Name2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
PubChem CID54711268
Molecular FormulaC11H8NO5S2-
Molecular Weight298.32 g/mol
Exact Mass297.98
IUPAC Name2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccs2)ccc1[O-]
InChIInChI=1S/C11H9NO5S2/c13-9-4-3-7(6-8(9)11(14)15)12-19(16,17)10-2-1-5-18-10/h1-6,12-13H,(H,14,15)/p-1
InChIKeyAVIOICZIPMVMFG-UHFFFAOYSA-M
XLogP1.32
TPSA106.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
2-[bis(2-methylpropyl)amino]-5-(thiophen-2-ylsulfonylamino)benzoic acid
CID 46292162
2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid
CID 46291585
2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate
CID 54710152
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 104833093
2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid
CID 92866678
2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(thiophen-2-ylsulfonylamino)quinoline-4-carboxylic acid
CID 46298178
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 2474123
N-(4-bromo-3-chlorophenyl)thiophene-2-sulfonamide
CID 2207523

Frequently Asked Questions

What is the IUPAC name of 2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate?
The IUPAC name of 2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate (CID 54711268) is 2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate.
What is the SMILES notation for 2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate?
The canonical SMILES for 2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate is O=C(O)c1cc(NS(=O)(=O)c2cccs2)ccc1[O-].
What is the InChIKey of 2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate?
The InChIKey is AVIOICZIPMVMFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO5S2/c13-9-4-3-7(6-8(9)11(14)15)12-19(16,17)10-2-1-5-18-10/h1-6,12-13H,(H,14,15)/p-1.
What are the key properties of 2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate?
2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate has a molecular weight of 298.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate is sourced from PubChem (CID 54711268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).