N-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide

C13H17N3O4S — CID 31913097

IUPACN-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C13H17N3O4S/c1-4-16-9-10(8-14-16)15-21(17,18)11-5-6-12(19-2)13(7-11)20-3/h5-9,15H,4H2,1-3H3
InChIKeyZTDHAUHYKPEKLW-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.72
Rot. Bonds6

About N-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide

N-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 31913097) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide
PubChem CID31913097
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C13H17N3O4S/c1-4-16-9-10(8-14-16)15-21(17,18)11-5-6-12(19-2)13(7-11)20-3/h5-9,15H,4H2,1-3H3
InChIKeyZTDHAUHYKPEKLW-UHFFFAOYSA-N
XLogP1.72
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide (CID 31913097) is N-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide is CCn1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is ZTDHAUHYKPEKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-4-16-9-10(8-14-16)15-21(17,18)11-5-6-12(19-2)13(7-11)20-3/h5-9,15H,4H2,1-3H3.
What are the key properties of N-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide?
N-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 31913097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).