4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C12H15N3O3S — CID 8933113

IUPAC4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1
InChIInChI=1S/C12H15N3O3S/c1-3-18-10-4-6-11(7-5-10)19(16,17)14-12-8-9-15(2)13-12/h4-9H,3H2,1-2H3,(H,13,14)
InChIKeyIHYFSJHCGRZAJN-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.62
Rot. Bonds5

About 4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide

4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 8933113) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID8933113
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1
InChIInChI=1S/C12H15N3O3S/c1-3-18-10-4-6-11(7-5-10)19(16,17)14-12-8-9-15(2)13-12/h4-9H,3H2,1-2H3,(H,13,14)
InChIKeyIHYFSJHCGRZAJN-UHFFFAOYSA-N
XLogP1.62
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 8933113) is 4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1.
What is the InChIKey of 4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is IHYFSJHCGRZAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-3-18-10-4-6-11(7-5-10)19(16,17)14-12-8-9-15(2)13-12/h4-9H,3H2,1-2H3,(H,13,14).
What are the key properties of 4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 8933113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).