N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide

C15H18N4O5S — CID 113039612

IUPACN-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
SMILESCOCCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C15H18N4O5S/c1-22-8-2-7-16-14-5-6-15(18-17-14)19-25(20,21)11-3-4-12-13(9-11)24-10-23-12/h3-6,9H,2,7-8,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyFMTWNYASIUDGMN-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.45
Rot. Bonds8

About N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide

N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 113039612) has the molecular formula C15H18N4O5S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
PubChem CID113039612
Molecular FormulaC15H18N4O5S
Molecular Weight366.40 g/mol
Exact Mass366.10
IUPAC NameN-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
SMILESCOCCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C15H18N4O5S/c1-22-8-2-7-16-14-5-6-15(18-17-14)19-25(20,21)11-3-4-12-13(9-11)24-10-23-12/h3-6,9H,2,7-8,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyFMTWNYASIUDGMN-UHFFFAOYSA-N
XLogP1.45
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
CID 113044727
N-[6-(pentylamino)pyridazin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113044728
N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
CID 113038278
2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide
CID 113039614
N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide
CID 110642725
N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113009130
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114237
5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113039632
N-[2-(4-tert-butylphenoxy)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 113100545
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113041877
N-(2-propan-2-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 110602847
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941927

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide (CID 113039612) is N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide is COCCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)nn1.
What is the InChIKey of N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is FMTWNYASIUDGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S/c1-22-8-2-7-16-14-5-6-15(18-17-14)19-25(20,21)11-3-4-12-13(9-11)24-10-23-12/h3-6,9H,2,7-8,10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide?
N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 366.40 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 113039612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).