N-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide

C18H19N3O2S — CID 17026485

IUPACN-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C18H19N3O2S/c1-2-20-15-18(13-19-20)24(22,23)21(17-11-7-4-8-12-17)14-16-9-5-3-6-10-16/h3-13,15H,2,14H2,1H3
InChIKeyGXUPDAKBESSOHD-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.30
Rot. Bonds6

About N-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide

N-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide (PubChem CID 17026485) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide
PubChem CID17026485
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C18H19N3O2S/c1-2-20-15-18(13-19-20)24(22,23)21(17-11-7-4-8-12-17)14-16-9-5-3-6-10-16/h3-13,15H,2,14H2,1H3
InChIKeyGXUPDAKBESSOHD-UHFFFAOYSA-N
XLogP3.30
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-1-ethyl-N-phenylpyrazole-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-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide (CID 17026485) is N-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cn1.
What is the InChIKey of N-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide?
The InChIKey is GXUPDAKBESSOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-20-15-18(13-19-20)24(22,23)21(17-11-7-4-8-12-17)14-16-9-5-3-6-10-16/h3-13,15H,2,14H2,1H3.
What are the key properties of N-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide?
N-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-ethyl-N-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 17026485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).