N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide

C18H19N3O2S — CID 42283150

IUPACN-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-15-18(14-21(19-15)17-11-7-4-8-12-17)24(22,23)20(2)13-16-9-5-3-6-10-16/h3-12,14H,13H2,1-2H3
InChIKeyUHUNLUDTFKGSAL-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.00
Rot. Bonds5

About N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide

N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 42283150) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID42283150
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-15-18(14-21(19-15)17-11-7-4-8-12-17)24(22,23)20(2)13-16-9-5-3-6-10-16/h3-12,14H,13H2,1-2H3
InChIKeyUHUNLUDTFKGSAL-UHFFFAOYSA-N
XLogP3.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N,3-dimethyl-1-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

Related Compounds

N-benzyl-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283152
N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42348958
N-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 42283211
N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283139
N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283268
N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283213
N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 132849370
N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283357
4-chloro-2-fluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495378
2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26541420
3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
CID 42283279
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 42283150) is N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)cc1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is UHUNLUDTFKGSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-15-18(14-21(19-15)17-11-7-4-8-12-17)24(22,23)20(2)13-16-9-5-3-6-10-16/h3-12,14H,13H2,1-2H3.
What are the key properties of N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide?
N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).