3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

C17H20N4O3S — CID 77090588

IUPAC3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESCC1=CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccn[nH]3)c2)CC1
InChIInChI=1S/C17H20N4O3S/c1-13-6-9-21(10-7-13)17(22)14-3-2-4-16(11-14)25(23,24)19-12-15-5-8-18-20-15/h2-6,8,11,19H,7,9-10,12H2,1H3,(H,18,20)
InChIKeyGQBPVDNOKPZVBH-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.68
Rot. Bonds5

About 3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 77090588) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
PubChem CID77090588
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESCC1=CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccn[nH]3)c2)CC1
InChIInChI=1S/C17H20N4O3S/c1-13-6-9-21(10-7-13)17(22)14-3-2-4-16(11-14)25(23,24)19-12-15-5-8-18-20-15/h2-6,8,11,19H,7,9-10,12H2,1H3,(H,18,20)
InChIKeyGQBPVDNOKPZVBH-UHFFFAOYSA-N
XLogP1.68
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)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

1-(4-methylbenzenesulfonyl)-4-(5-phenyl-1H-pyrazole-3-carbonyl)piperazine
CID 8889263
N-Benzyl-N-(1H-pyrazol-3-ylmethyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44328272
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 16303626
1-(benzenesulfonyl)-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine
CID 17406798
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 25163291
1-(3-Phenyl-1H-pyrazole-5-carbonyl)-4-[4-(propan-2-YL)benzenesulfonyl]piperazine
CID 20864932
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]benzohydrazide
CID 24982931
3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16323473
[4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 17412557
N,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide
CID 32504396
N-methyl-4-(3-pyrazol-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 53561154
4-[(isobutylamino)sulfonyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
CID 70740470

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (CID 77090588) is 3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is CC1=CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccn[nH]3)c2)CC1.
What is the InChIKey of 3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is GQBPVDNOKPZVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-13-6-9-21(10-7-13)17(22)14-3-2-4-16(11-14)25(23,24)19-12-15-5-8-18-20-15/h2-6,8,11,19H,7,9-10,12H2,1H3,(H,18,20).
What are the key properties of 3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 77090588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).