1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide

C20H23N3O2S — CID 42348254

IUPAC1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-20(2,3)22-26(24,25)18-15-23(14-16-10-6-4-7-11-16)21-19(18)17-12-8-5-9-13-17/h4-13,15,22H,14H2,1-3H3
InChIKeyWEYWCFWAGFVFKH-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.68
Rot. Bonds5

About 1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide

1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide (PubChem CID 42348254) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide
PubChem CID42348254
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-20(2,3)22-26(24,25)18-15-23(14-16-10-6-4-7-11-16)21-19(18)17-12-8-5-9-13-17/h4-13,15,22H,14H2,1-3H3
InChIKeyWEYWCFWAGFVFKH-UHFFFAOYSA-N
XLogP3.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2,2-diethoxyethyl)-3-phenylpyrazole-4-sulfonamide
CID 42348312
1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide
CID 42348788
1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide
CID 42348521
1-benzyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42285090
1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide
CID 42285100
N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346407
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 16588340
1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide
CID 42284354
1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 42283113
ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 42348035
1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
CID 17423011
1-benzyl-3-tert-butyl-N-(2,5-dichlorophenyl)pyrazole-4-sulfonamide
CID 42284483

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide (CID 42348254) is 1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide is CC(C)(C)NS(=O)(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide?
The InChIKey is WEYWCFWAGFVFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-20(2,3)22-26(24,25)18-15-23(14-16-10-6-4-7-11-16)21-19(18)17-12-8-5-9-13-17/h4-13,15,22H,14H2,1-3H3.
What are the key properties of 1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide?
1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42348254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).