N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide

C19H24N4O2S — CID 113039383

IUPACN-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(NCCC3=CCCCC3)nn2)c1
InChIInChI=1S/C19H24N4O2S/c1-15-6-5-9-17(14-15)26(24,25)23-19-11-10-18(21-22-19)20-13-12-16-7-3-2-4-8-16/h5-7,9-11,14H,2-4,8,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyIDWBUJSKUXSZQB-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.89
Rot. Bonds7

About N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide

N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide (PubChem CID 113039383) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide
PubChem CID113039383
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(NCCC3=CCCCC3)nn2)c1
InChIInChI=1S/C19H24N4O2S/c1-15-6-5-9-17(14-15)26(24,25)23-19-11-10-18(21-22-19)20-13-12-16-7-3-2-4-8-16/h5-7,9-11,14H,2-4,8,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyIDWBUJSKUXSZQB-UHFFFAOYSA-N
XLogP3.89
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113039373
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113039369
N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3-methylbenzenesulfonamide
CID 112980883
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113010296
N-[2-(cyclohexen-1-yl)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 110759188
6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide
CID 133477090
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide
CID 113039305
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]benzoic acid
CID 43091539
3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894
6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109113556
4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide
CID 113024995
N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941820

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide (CID 113039383) is N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(NCCC3=CCCCC3)nn2)c1.
What is the InChIKey of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide?
The InChIKey is IDWBUJSKUXSZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-15-6-5-9-17(14-15)26(24,25)23-19-11-10-18(21-22-19)20-13-12-16-7-3-2-4-8-16/h5-7,9-11,14H,2-4,8,12-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide?
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113039383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).