N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide

C15H21N3O2S — CID 110705697

IUPACN-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C15H21N3O2S/c1-5-18(11-14-9-7-6-8-10-14)21(19,20)15-12(2)16-17(4)13(15)3/h6-10H,5,11H2,1-4H3
InChIKeySFZMJPUMFWMEBG-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.25
Rot. Bonds5

About N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide

N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 110705697) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID110705697
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C15H21N3O2S/c1-5-18(11-14-9-7-6-8-10-14)21(19,20)15-12(2)16-17(4)13(15)3/h6-10H,5,11H2,1-4H3
InChIKeySFZMJPUMFWMEBG-UHFFFAOYSA-N
XLogP2.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide (CID 110705697) is N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is SFZMJPUMFWMEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-18(11-14-9-7-6-8-10-14)21(19,20)15-12(2)16-17(4)13(15)3/h6-10H,5,11H2,1-4H3.
What are the key properties of N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide?
N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 110705697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).