4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide

C9H10N2O4S2 — CID 81173428

IUPAC4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccon1)c1cc(CO)cs1
InChIInChI=1S/C9H10N2O4S2/c12-5-7-3-9(16-6-7)17(13,14)10-4-8-1-2-15-11-8/h1-3,6,10,12H,4-5H2
InChIKeyUWMRGJRTZSNVHN-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.71
Rot. Bonds5

About 4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide

4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 81173428) has the molecular formula C9H10N2O4S2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID81173428
Molecular FormulaC9H10N2O4S2
Molecular Weight274.32 g/mol
Exact Mass274.01
IUPAC Name4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccon1)c1cc(CO)cs1
InChIInChI=1S/C9H10N2O4S2/c12-5-7-3-9(16-6-7)17(13,14)10-4-8-1-2-15-11-8/h1-3,6,10,12H,4-5H2
InChIKeyUWMRGJRTZSNVHN-UHFFFAOYSA-N
XLogP0.71
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide (CID 81173428) is 4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1ccon1)c1cc(CO)cs1.
What is the InChIKey of 4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is UWMRGJRTZSNVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S2/c12-5-7-3-9(16-6-7)17(13,14)10-4-8-1-2-15-11-8/h1-3,6,10,12H,4-5H2.
What are the key properties of 4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide?
4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 274.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 81173428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).