N-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide

C18H19N3O2S — CID 969900

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-14-18(20-24(22,23)17-11-7-4-8-12-17)15(2)21(19-14)13-16-9-5-3-6-10-16/h3-12,20H,13H2,1-2H3
InChIKeyPXOWFBKKQFQBAB-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.35
Rot. Bonds5

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 969900) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID969900
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-14-18(20-24(22,23)17-11-7-4-8-12-17)15(2)21(19-14)13-16-9-5-3-6-10-16/h3-12,20H,13H2,1-2H3
InChIKeyPXOWFBKKQFQBAB-UHFFFAOYSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide (CID 969900) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(Cc2ccccc2)c(C)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is PXOWFBKKQFQBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-14-18(20-24(22,23)17-11-7-4-8-12-17)15(2)21(19-14)13-16-9-5-3-6-10-16/h3-12,20H,13H2,1-2H3.
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 969900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).