N-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide

C16H23N3O3S — CID 97243222

IUPACN-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1c(C)nn(C[C@H](O)c2ccccc2)c1C
InChIInChI=1S/C16H23N3O3S/c1-5-18(4)23(21,22)16-12(2)17-19(13(16)3)11-15(20)14-9-7-6-8-10-14/h6-10,15,20H,5,11H2,1-4H3/t15-/m0/s1
InChIKeyKNUGOACSECBDFH-HNNXBMFYSA-N
MW337.44 g/mol
LogP1.87
Rot. Bonds6

About N-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide

N-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 97243222) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID97243222
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC NameN-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1c(C)nn(C[C@H](O)c2ccccc2)c1C
InChIInChI=1S/C16H23N3O3S/c1-5-18(4)23(21,22)16-12(2)17-19(13(16)3)11-15(20)14-9-7-6-8-10-14/h6-10,15,20H,5,11H2,1-4H3/t15-/m0/s1
InChIKeyKNUGOACSECBDFH-HNNXBMFYSA-N
XLogP1.87
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide (CID 97243222) is N-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide is CCN(C)S(=O)(=O)c1c(C)nn(C[C@H](O)c2ccccc2)c1C.
What is the InChIKey of N-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is KNUGOACSECBDFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-5-18(4)23(21,22)16-12(2)17-19(13(16)3)11-15(20)14-9-7-6-8-10-14/h6-10,15,20H,5,11H2,1-4H3/t15-/m0/s1.
What are the key properties of N-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
N-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 337.44 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 97243222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).