3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide

C20H23N3O2S — CID 42346454

IUPAC3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCCc2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H23N3O2S/c1-16(2)23-15-19(20(22-23)18-11-7-4-8-12-18)26(24,25)21-14-13-17-9-5-3-6-10-17/h3-12,15-16,21H,13-14H2,1-2H3
InChIKeyJWLKTHAVEGZLGX-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.65
Rot. Bonds7

About 3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide

3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42346454) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42346454
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCCc2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H23N3O2S/c1-16(2)23-15-19(20(22-23)18-11-7-4-8-12-18)26(24,25)21-14-13-17-9-5-3-6-10-17/h3-12,15-16,21H,13-14H2,1-2H3
InChIKeyJWLKTHAVEGZLGX-UHFFFAOYSA-N
XLogP3.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 42346810
N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346407
N-[2-(dimethylamino)ethyl]-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346316
3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide
CID 42285555
4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride
CID 126967120
N-(3-methoxyphenyl)-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42284905
N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350352
3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42284900
N-butyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42349141
N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350218
1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone
CID 42346797
3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide
CID 42282361

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide (CID 42346454) is 3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)NCCc2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is JWLKTHAVEGZLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-16(2)23-15-19(20(22-23)18-11-7-4-8-12-18)26(24,25)21-14-13-17-9-5-3-6-10-17/h3-12,15-16,21H,13-14H2,1-2H3.
What are the key properties of 3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide?
3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42346454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).