N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide

C18H19N3O3S — CID 55647315

IUPACN-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C18H19N3O3S/c1-20-14-18(12-19-20)25(22,23)21(13-15-6-4-3-5-7-15)16-8-10-17(24-2)11-9-16/h3-12,14H,13H2,1-2H3
InChIKeyOWMKPJNIXVNOOS-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.82
Rot. Bonds6

About N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide

N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 55647315) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID55647315
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C18H19N3O3S/c1-20-14-18(12-19-20)25(22,23)21(13-15-6-4-3-5-7-15)16-8-10-17(24-2)11-9-16/h3-12,14H,13H2,1-2H3
InChIKeyOWMKPJNIXVNOOS-UHFFFAOYSA-N
XLogP2.82
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-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-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19576918
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
N-benzyl-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56587385
N-benzyl-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3682989
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 86870369
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 32681303
N-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46022004
N-(3-fluoro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46014788

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide (CID 55647315) is N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide is COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cnn(C)c2)cc1.
What is the InChIKey of N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is OWMKPJNIXVNOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-20-14-18(12-19-20)25(22,23)21(13-15-6-4-3-5-7-15)16-8-10-17(24-2)11-9-16/h3-12,14H,13H2,1-2H3.
What are the key properties of N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide?
N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 55647315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).