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

C14H19N3O3S — CID 56731220

IUPAC3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
SMILESCCOCc1cccc(S(=O)(=O)Nc2ccn(CC)n2)c1
InChIInChI=1S/C14H19N3O3S/c1-3-17-9-8-14(15-17)16-21(18,19)13-7-5-6-12(10-13)11-20-4-2/h5-10H,3-4,11H2,1-2H3,(H,15,16)
InChIKeyWOCHJYJPZRKTQW-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.24
Rot. Bonds7

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

3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide (PubChem CID 56731220) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
PubChem CID56731220
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
SMILESCCOCc1cccc(S(=O)(=O)Nc2ccn(CC)n2)c1
InChIInChI=1S/C14H19N3O3S/c1-3-17-9-8-14(15-17)16-21(18,19)13-7-5-6-12(10-13)11-20-4-2/h5-10H,3-4,11H2,1-2H3,(H,15,16)
InChIKeyWOCHJYJPZRKTQW-UHFFFAOYSA-N
XLogP2.24
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide (CID 56731220) is 3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide is CCOCc1cccc(S(=O)(=O)Nc2ccn(CC)n2)c1.
What is the InChIKey of 3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is WOCHJYJPZRKTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-17-9-8-14(15-17)16-21(18,19)13-7-5-6-12(10-13)11-20-4-2/h5-10H,3-4,11H2,1-2H3,(H,15,16).
What are the key properties of 3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide?
3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 56731220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).