N-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide

C13H17N3O3S — CID 71688831

IUPACN-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide
SMILESCCn1ccc(NS(=O)(=O)c2cccc(COC)c2)n1
InChIInChI=1S/C13H17N3O3S/c1-3-16-8-7-13(14-16)15-20(17,18)12-6-4-5-11(9-12)10-19-2/h4-9H,3,10H2,1-2H3,(H,14,15)
InChIKeyVBTYOLQPDRVRTR-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.85
Rot. Bonds6

About N-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide

N-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide (PubChem CID 71688831) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide
PubChem CID71688831
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide
SMILESCCn1ccc(NS(=O)(=O)c2cccc(COC)c2)n1
InChIInChI=1S/C13H17N3O3S/c1-3-16-8-7-13(14-16)15-20(17,18)12-6-4-5-11(9-12)10-19-2/h4-9H,3,10H2,1-2H3,(H,14,15)
InChIKeyVBTYOLQPDRVRTR-UHFFFAOYSA-N
XLogP1.85
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide (CID 71688831) is N-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide is CCn1ccc(NS(=O)(=O)c2cccc(COC)c2)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide?
The InChIKey is VBTYOLQPDRVRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-16-8-7-13(14-16)15-20(17,18)12-6-4-5-11(9-12)10-19-2/h4-9H,3,10H2,1-2H3,(H,14,15).
What are the key properties of N-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide?
N-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 71688831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).