4-(thiophen-2-ylsulfonylamino)benzoic acid

C11H9NO4S2 — CID 873172

IUPAC4-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C11H9NO4S2/c13-11(14)8-3-5-9(6-4-8)12-18(15,16)10-2-1-7-17-10/h1-7,12H,(H,13,14)
InChIKeyVWLSKCBAWSAIAM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.25
Rot. Bonds4

About 4-(thiophen-2-ylsulfonylamino)benzoic acid

4-(thiophen-2-ylsulfonylamino)benzoic acid (PubChem CID 873172) has the molecular formula C11H9NO4S2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(thiophen-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name4-(thiophen-2-ylsulfonylamino)benzoic acid
PubChem CID873172
Molecular FormulaC11H9NO4S2
Molecular Weight283.33 g/mol
Exact Mass283.00
IUPAC Name4-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C11H9NO4S2/c13-11(14)8-3-5-9(6-4-8)12-18(15,16)10-2-1-7-17-10/h1-7,12H,(H,13,14)
InChIKeyVWLSKCBAWSAIAM-UHFFFAOYSA-N
XLogP2.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 4-(thiophen-2-ylsulfonylamino)benzoic acid (CID 873172) is 4-(thiophen-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 4-(thiophen-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 4-(thiophen-2-ylsulfonylamino)benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 4-(thiophen-2-ylsulfonylamino)benzoic acid?
The InChIKey is VWLSKCBAWSAIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S2/c13-11(14)8-3-5-9(6-4-8)12-18(15,16)10-2-1-7-17-10/h1-7,12H,(H,13,14).
What are the key properties of 4-(thiophen-2-ylsulfonylamino)benzoic acid?
4-(thiophen-2-ylsulfonylamino)benzoic acid has a molecular weight of 283.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 873172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).