N-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide

C11H19N3O3S — CID 51081430

IUPACN-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCCN(CC1CCOC1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O3S/c1-3-14(7-10-4-5-17-9-10)18(15,16)11-6-12-13(2)8-11/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyFJPWDWXOYIHZMN-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.47
Rot. Bonds5

About N-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide

N-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 51081430) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID51081430
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCCN(CC1CCOC1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O3S/c1-3-14(7-10-4-5-17-9-10)18(15,16)11-6-12-13(2)8-11/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyFJPWDWXOYIHZMN-UHFFFAOYSA-N
XLogP0.47
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide (CID 51081430) is N-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide is CCN(CC1CCOC1)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is FJPWDWXOYIHZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-14(7-10-4-5-17-9-10)18(15,16)11-6-12-13(2)8-11/h6,8,10H,3-5,7,9H2,1-2H3.
What are the key properties of N-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide?
N-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 51081430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).