N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide

C20H26N4O2S — CID 113039373

IUPACN-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCCC3=CCCCC3)nn2)cc1C
InChIInChI=1S/C20H26N4O2S/c1-15-8-9-18(14-16(15)2)27(25,26)24-20-11-10-19(22-23-20)21-13-12-17-6-4-3-5-7-17/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyTTWMLVJEZHCVFY-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.20
Rot. Bonds7

About N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide

N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide (PubChem CID 113039373) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
PubChem CID113039373
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCCC3=CCCCC3)nn2)cc1C
InChIInChI=1S/C20H26N4O2S/c1-15-8-9-18(14-16(15)2)27(25,26)24-20-11-10-19(22-23-20)21-13-12-17-6-4-3-5-7-17/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyTTWMLVJEZHCVFY-UHFFFAOYSA-N
XLogP4.20
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.20
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]-4-methylbenzenesulfonamide
CID 113039369
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113039383
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113010296
N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113041506
N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113044314
6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide
CID 133477090
N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3-methylbenzenesulfonamide
CID 112980883
4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide
CID 113024995
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide
CID 113039305
N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 37478389
6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109113556
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039326

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide (CID 113039373) is N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NCCC3=CCCCC3)nn2)cc1C.
What is the InChIKey of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is TTWMLVJEZHCVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-15-8-9-18(14-16(15)2)27(25,26)24-20-11-10-19(22-23-20)21-13-12-17-6-4-3-5-7-17/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 4.20, 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]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113039373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).