(5-sulfamoylthiophen-2-yl) formate

C5H5NO4S2 — CID 174249417

IUPAC(5-sulfamoylthiophen-2-yl) formate
SMILESNS(=O)(=O)c1ccc(OC=O)s1
InChIInChI=1S/C5H5NO4S2/c6-12(8,9)5-2-1-4(11-5)10-3-7/h1-3H,(H2,6,8,9)
InChIKeyKZSVFEAQCDEDFN-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.07
Rot. Bonds3

About (5-sulfamoylthiophen-2-yl) formate

(5-sulfamoylthiophen-2-yl) formate (PubChem CID 174249417) has the molecular formula C5H5NO4S2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (5-sulfamoylthiophen-2-yl) formate.

Molecular Properties

Compound Name(5-sulfamoylthiophen-2-yl) formate
PubChem CID174249417
Molecular FormulaC5H5NO4S2
Molecular Weight207.23 g/mol
Exact Mass206.97
IUPAC Name(5-sulfamoylthiophen-2-yl) formate
SMILESNS(=O)(=O)c1ccc(OC=O)s1
InChIInChI=1S/C5H5NO4S2/c6-12(8,9)5-2-1-4(11-5)10-3-7/h1-3H,(H2,6,8,9)
InChIKeyKZSVFEAQCDEDFN-UHFFFAOYSA-N
XLogP-0.07
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-sulfamoylthiophen-2-yl) formate?
The IUPAC name of (5-sulfamoylthiophen-2-yl) formate (CID 174249417) is (5-sulfamoylthiophen-2-yl) formate.
What is the SMILES notation for (5-sulfamoylthiophen-2-yl) formate?
The canonical SMILES for (5-sulfamoylthiophen-2-yl) formate is NS(=O)(=O)c1ccc(OC=O)s1.
What is the InChIKey of (5-sulfamoylthiophen-2-yl) formate?
The InChIKey is KZSVFEAQCDEDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4S2/c6-12(8,9)5-2-1-4(11-5)10-3-7/h1-3H,(H2,6,8,9).
What are the key properties of (5-sulfamoylthiophen-2-yl) formate?
(5-sulfamoylthiophen-2-yl) formate has a molecular weight of 207.23 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-sulfamoylthiophen-2-yl) formate is sourced from PubChem (CID 174249417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).