N-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide

C22H17N5O3S — CID 166523693

IUPACN-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide
SMILESCc1[nH]n(C2=CCC(=NS(=O)(=O)c3ccccc3)C=N2)c(=O)c1-c1ccc(C#N)cc1
InChIInChI=1S/C22H17N5O3S/c1-15-21(17-9-7-16(13-23)8-10-17)22(28)27(25-15)20-12-11-18(14-24-20)26-31(29,30)19-5-3-2-4-6-19/h2-10,12,14,25H,11H2,1H3
InChIKeyIGAOYUDRBXJKJW-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.13
Rot. Bonds4

About N-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide

N-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide (PubChem CID 166523693) has the molecular formula C22H17N5O3S and a molecular weight of 431.48 g/mol. Its IUPAC name is N-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide
PubChem CID166523693
Molecular FormulaC22H17N5O3S
Molecular Weight431.48 g/mol
Exact Mass431.11
IUPAC NameN-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide
SMILESCc1[nH]n(C2=CCC(=NS(=O)(=O)c3ccccc3)C=N2)c(=O)c1-c1ccc(C#N)cc1
InChIInChI=1S/C22H17N5O3S/c1-15-21(17-9-7-16(13-23)8-10-17)22(28)27(25-15)20-12-11-18(14-24-20)26-31(29,30)19-5-3-2-4-6-19/h2-10,12,14,25H,11H2,1H3
InChIKeyIGAOYUDRBXJKJW-UHFFFAOYSA-N
XLogP3.13
TPSA120.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide?
The IUPAC name of N-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide (CID 166523693) is N-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide.
What is the SMILES notation for N-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide?
The canonical SMILES for N-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide is Cc1[nH]n(C2=CCC(=NS(=O)(=O)c3ccccc3)C=N2)c(=O)c1-c1ccc(C#N)cc1.
What is the InChIKey of N-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide?
The InChIKey is IGAOYUDRBXJKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3S/c1-15-21(17-9-7-16(13-23)8-10-17)22(28)27(25-15)20-12-11-18(14-24-20)26-31(29,30)19-5-3-2-4-6-19/h2-10,12,14,25H,11H2,1H3.
What are the key properties of N-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide?
N-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide has a molecular weight of 431.48 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4H-pyridin-3-ylidene]benzenesulfonamide is sourced from PubChem (CID 166523693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).