N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide

C18H19N3O2S — CID 75366177

IUPACN-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-14-18(15(2)20-19-14)24(22,23)21(17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeyRRMFIWBCUZWACZ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.42
Rot. Bonds5

About N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide

N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide (PubChem CID 75366177) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide
PubChem CID75366177
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-14-18(15(2)20-19-14)24(22,23)21(17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeyRRMFIWBCUZWACZ-UHFFFAOYSA-N
XLogP3.42
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-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-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 110360875
N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide
CID 22202594
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113066614
N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43402453
3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide
CID 43402494
N-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62100660
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 60959373
N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43398042
N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282442
N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 63230617
N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 43402461

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide (CID 75366177) is N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide?
The InChIKey is RRMFIWBCUZWACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-14-18(15(2)20-19-14)24(22,23)21(17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h3-12H,13H2,1-2H3,(H,19,20).
What are the key properties of N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide?
N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 75366177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).