3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid

C14H10N2O5S2 — CID 56942026

IUPAC3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(-c3ccon3)s2)c1
InChIInChI=1S/C14H10N2O5S2/c17-14(18)9-2-1-3-10(8-9)16-23(19,20)13-5-4-12(22-13)11-6-7-21-15-11/h1-8,16H,(H,17,18)
InChIKeyBDHPMFTUNFZKRU-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.90
Rot. Bonds5

About 3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid

3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid (PubChem CID 56942026) has the molecular formula C14H10N2O5S2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid
PubChem CID56942026
Molecular FormulaC14H10N2O5S2
Molecular Weight350.38 g/mol
Exact Mass350.00
IUPAC Name3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(-c3ccon3)s2)c1
InChIInChI=1S/C14H10N2O5S2/c17-14(18)9-2-1-3-10(8-9)16-23(19,20)13-5-4-12(22-13)11-6-7-21-15-11/h1-8,16H,(H,17,18)
InChIKeyBDHPMFTUNFZKRU-UHFFFAOYSA-N
XLogP2.90
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid?
The IUPAC name of 3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid (CID 56942026) is 3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid?
The canonical SMILES for 3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2ccc(-c3ccon3)s2)c1.
What is the InChIKey of 3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid?
The InChIKey is BDHPMFTUNFZKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5S2/c17-14(18)9-2-1-3-10(8-9)16-23(19,20)13-5-4-12(22-13)11-6-7-21-15-11/h1-8,16H,(H,17,18).
What are the key properties of 3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid?
3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid has a molecular weight of 350.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]benzoic acid is sourced from PubChem (CID 56942026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).