anisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide

C25H25N3O3S — CID 174392438

IUPACanisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(c1ccccc1)c1cnn(-c2ccccc2)c1.COc1ccccc1
InChIInChI=1S/C18H17N3O2S.C7H8O/c1-2-13-24(22,23)21(17-11-7-4-8-12-17)18-14-19-20(15-18)16-9-5-3-6-10-16;1-8-7-5-3-2-4-6-7/h2-12,14-15H,1,13H2;2-6H,1H3
InChIKeyXYYSMJCVRVGTTG-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.22
Rot. Bonds7

About anisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide

anisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide (PubChem CID 174392438) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is anisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound Nameanisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide
PubChem CID174392438
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Nameanisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(c1ccccc1)c1cnn(-c2ccccc2)c1.COc1ccccc1
InChIInChI=1S/C18H17N3O2S.C7H8O/c1-2-13-24(22,23)21(17-11-7-4-8-12-17)18-14-19-20(15-18)16-9-5-3-6-10-16;1-8-7-5-3-2-4-6-7/h2-12,14-15H,1,13H2;2-6H,1H3
InChIKeyXYYSMJCVRVGTTG-UHFFFAOYSA-N
XLogP5.22
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze anisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-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,N-diphenylprop-2-ene-1-sulfonamide
CID 175235096
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide
CID 70732597
4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole
CID 75426285
anisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide
CID 174437621
4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
CID 60542205
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088954
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396
4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
CID 117229524
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 25468393
N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine
CID 71847517
chloro-(1-phenylpyrazol-4-yl)oxy-prop-2-enoxy-sulfanylidene-λ5-phosphane
CID 88676450

Frequently Asked Questions

What is the IUPAC name of anisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide?
The IUPAC name of anisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide (CID 174392438) is anisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for anisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide?
The canonical SMILES for anisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)N(c1ccccc1)c1cnn(-c2ccccc2)c1.COc1ccccc1.
What is the InChIKey of anisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide?
The InChIKey is XYYSMJCVRVGTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S.C7H8O/c1-2-13-24(22,23)21(17-11-7-4-8-12-17)18-14-19-20(15-18)16-9-5-3-6-10-16;1-8-7-5-3-2-4-6-7/h2-12,14-15H,1,13H2;2-6H,1H3.
What are the key properties of anisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide?
anisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide has a molecular weight of 447.56 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 174392438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).