N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide

C12H15N3O3S — CID 31912961

IUPACN-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(OC)cc2)cn1
InChIInChI=1S/C12H15N3O3S/c1-3-15-9-10(8-13-15)14-19(16,17)12-6-4-11(18-2)5-7-12/h4-9,14H,3H2,1-2H3
InChIKeyDMBMXPMJNQZYIR-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.71
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide

N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide (PubChem CID 31912961) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
PubChem CID31912961
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(OC)cc2)cn1
InChIInChI=1S/C12H15N3O3S/c1-3-15-9-10(8-13-15)14-19(16,17)12-6-4-11(18-2)5-7-12/h4-9,14H,3H2,1-2H3
InChIKeyDMBMXPMJNQZYIR-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide (CID 31912961) is N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide is CCn1cc(NS(=O)(=O)c2ccc(OC)cc2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
The InChIKey is DMBMXPMJNQZYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-3-15-9-10(8-13-15)14-19(16,17)12-6-4-11(18-2)5-7-12/h4-9,14H,3H2,1-2H3.
What are the key properties of N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 31912961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).