4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide

C21H23N4O3S+ — CID 10673298

IUPAC4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide
SMILESCc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)NNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H22N4O3S/c1-15-12-18(17-6-4-3-5-7-17)13-16(2)25(15)14-21(26)24-23-19-8-10-20(11-9-19)29(22,27)28/h3-13,23H,14H2,1-2H3,(H2-,22,24,26,27,28)/p+1
InChIKeyQNSXGUYUNRFMRT-UHFFFAOYSA-O
MW411.51 g/mol
LogP2.05
Rot. Bonds6

About 4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide

4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide (PubChem CID 10673298) has the molecular formula C21H23N4O3S+ and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide
PubChem CID10673298
Molecular FormulaC21H23N4O3S+
Molecular Weight411.51 g/mol
Exact Mass411.15
IUPAC Name4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide
SMILESCc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)NNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H22N4O3S/c1-15-12-18(17-6-4-3-5-7-17)13-16(2)25(15)14-21(26)24-23-19-8-10-20(11-9-19)29(22,27)28/h3-13,23H,14H2,1-2H3,(H2-,22,24,26,27,28)/p+1
InChIKeyQNSXGUYUNRFMRT-UHFFFAOYSA-O
XLogP2.05
TPSA105.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide 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

2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]acetamide
CID 10555372
2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]acetamide perchlorate
CID 10555371
2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 10649727
2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-N-(2-iodo-4-sulfamoylphenyl)acetamide perchlorate
CID 10651537
2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide perchlorate
CID 10649726
2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 10580195
2-amino-N-[2-oxo-2-[2-(4-sulfamoylphenyl)hydrazinyl]ethyl]acetamide
CID 10804238
(4-sulfamoylphenyl)methyl 2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]acetate perchlorate
CID 10698231
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate
CID 2119188
2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide
CID 10625733
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 4168509
2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide perchlorate
CID 10625732

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide (CID 10673298) is 4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide is Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)NNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide?
The InChIKey is QNSXGUYUNRFMRT-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H22N4O3S/c1-15-12-18(17-6-4-3-5-7-17)13-16(2)25(15)14-21(26)24-23-19-8-10-20(11-9-19)29(22,27)28/h3-13,23H,14H2,1-2H3,(H2-,22,24,26,27,28)/p+1.
What are the key properties of 4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide?
4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide has a molecular weight of 411.51 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 10673298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).