N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide

C15H21N3O4S — CID 6466482

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C15H21N3O4S/c1-4-18-11-13(10-16-18)23(19,20)17-8-7-12-5-6-14(21-2)15(9-12)22-3/h5-6,9-11,17H,4,7-8H2,1-3H3
InChIKeyFMCIDYWGCAHUPE-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.44
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 6466482) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID6466482
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C15H21N3O4S/c1-4-18-11-13(10-16-18)23(19,20)17-8-7-12-5-6-14(21-2)15(9-12)22-3/h5-6,9-11,17H,4,7-8H2,1-3H3
InChIKeyFMCIDYWGCAHUPE-UHFFFAOYSA-N
XLogP1.44
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide (CID 6466482) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is FMCIDYWGCAHUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-4-18-11-13(10-16-18)23(19,20)17-8-7-12-5-6-14(21-2)15(9-12)22-3/h5-6,9-11,17H,4,7-8H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 6466482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).