N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide

C16H17N5O2S — CID 133434346

IUPACN-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide
SMILESN#Cc1ccc(N2CCC(NS(=O)(=O)c3ccccc3)CC2)nn1
InChIInChI=1S/C16H17N5O2S/c17-12-14-6-7-16(19-18-14)21-10-8-13(9-11-21)20-24(22,23)15-4-2-1-3-5-15/h1-7,13,20H,8-11H2
InChIKeyVHRAKNNNCLCMFN-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.30
Rot. Bonds4

About N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide

N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide (PubChem CID 133434346) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide
PubChem CID133434346
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide
SMILESN#Cc1ccc(N2CCC(NS(=O)(=O)c3ccccc3)CC2)nn1
InChIInChI=1S/C16H17N5O2S/c17-12-14-6-7-16(19-18-14)21-10-8-13(9-11-21)20-24(22,23)15-4-2-1-3-5-15/h1-7,13,20H,8-11H2
InChIKeyVHRAKNNNCLCMFN-UHFFFAOYSA-N
XLogP1.30
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]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

4-tert-butyl-N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 139547891
6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
CID 121283820
6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile
CID 133433199
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
CID 163347936
N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclopropanesulfonamide
CID 146074389
N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 33161452
6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile
CID 141208354
N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide
CID 94615297
N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide
CID 26031512
N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 164641092
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide (CID 133434346) is N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide is N#Cc1ccc(N2CCC(NS(=O)(=O)c3ccccc3)CC2)nn1.
What is the InChIKey of N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is VHRAKNNNCLCMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c17-12-14-6-7-16(19-18-14)21-10-8-13(9-11-21)20-24(22,23)15-4-2-1-3-5-15/h1-7,13,20H,8-11H2.
What are the key properties of N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide?
N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 133434346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).