5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide

C7H11N3O4S — CID 142587888

IUPAC5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide
SMILESCn1nc(S(N)(=O)=O)cc1C1(O)COC1
InChIInChI=1S/C7H11N3O4S/c1-10-5(7(11)3-14-4-7)2-6(9-10)15(8,12)13/h2,11H,3-4H2,1H3,(H2,8,12,13)
InChIKeySSZLSHKWUFBHMS-UHFFFAOYSA-N
MW233.25 g/mol
LogP-1.71
Rot. Bonds2

About 5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide

5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide (PubChem CID 142587888) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide
PubChem CID142587888
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide
SMILESCn1nc(S(N)(=O)=O)cc1C1(O)COC1
InChIInChI=1S/C7H11N3O4S/c1-10-5(7(11)3-14-4-7)2-6(9-10)15(8,12)13/h2,11H,3-4H2,1H3,(H2,8,12,13)
InChIKeySSZLSHKWUFBHMS-UHFFFAOYSA-N
XLogP-1.71
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide?
The IUPAC name of 5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide (CID 142587888) is 5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide.
What is the SMILES notation for 5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide?
The canonical SMILES for 5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide is Cn1nc(S(N)(=O)=O)cc1C1(O)COC1.
What is the InChIKey of 5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide?
The InChIKey is SSZLSHKWUFBHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-10-5(7(11)3-14-4-7)2-6(9-10)15(8,12)13/h2,11H,3-4H2,1H3,(H2,8,12,13).
What are the key properties of 5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide?
5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide has a molecular weight of 233.25 g/mol, XLogP of -1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 142587888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).