N-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide

C7H13N3O4S — CID 134398305

IUPACN-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide
SMILESCOCn1nccc1S(=O)(=O)NCCO
InChIInChI=1S/C7H13N3O4S/c1-14-6-10-7(2-3-8-10)15(12,13)9-4-5-11/h2-3,9,11H,4-6H2,1H3
InChIKeyPMXJWKMUSSQERL-UHFFFAOYSA-N
MW235.26 g/mol
LogP-1.24
Rot. Bonds6

About N-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide

N-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide (PubChem CID 134398305) has the molecular formula C7H13N3O4S and a molecular weight of 235.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide
PubChem CID134398305
Molecular FormulaC7H13N3O4S
Molecular Weight235.26 g/mol
Exact Mass235.06
IUPAC NameN-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide
SMILESCOCn1nccc1S(=O)(=O)NCCO
InChIInChI=1S/C7H13N3O4S/c1-14-6-10-7(2-3-8-10)15(12,13)9-4-5-11/h2-3,9,11H,4-6H2,1H3
InChIKeyPMXJWKMUSSQERL-UHFFFAOYSA-N
XLogP-1.24
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide (CID 134398305) is N-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide is COCn1nccc1S(=O)(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide?
The InChIKey is PMXJWKMUSSQERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4S/c1-14-6-10-7(2-3-8-10)15(12,13)9-4-5-11/h2-3,9,11H,4-6H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide?
N-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide has a molecular weight of 235.26 g/mol, XLogP of -1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 134398305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).