N-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide

C15H20N4O3S — CID 108774940

IUPACN-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(CNc2ccc(C)nn2)cc1
InChIInChI=1S/C15H20N4O3S/c1-12-3-8-15(19-18-12)16-11-13-4-6-14(7-5-13)23(20,21)17-9-10-22-2/h3-8,17H,9-11H2,1-2H3,(H,16,19)
InChIKeyCZYIQYMSZRKYCM-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.32
Rot. Bonds8

About N-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide

N-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide (PubChem CID 108774940) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide
PubChem CID108774940
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(CNc2ccc(C)nn2)cc1
InChIInChI=1S/C15H20N4O3S/c1-12-3-8-15(19-18-12)16-11-13-4-6-14(7-5-13)23(20,21)17-9-10-22-2/h3-8,17H,9-11H2,1-2H3,(H,16,19)
InChIKeyCZYIQYMSZRKYCM-UHFFFAOYSA-N
XLogP1.32
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-[[(2-methyl-6-phenylpyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 108774911
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 16942030
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
6-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62148459
1-tert-butyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110965310
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 108736002
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 108759091
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
CID 119296315
2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108736020
N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16942022
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 31541929

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide (CID 108774940) is N-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide is COCCNS(=O)(=O)c1ccc(CNc2ccc(C)nn2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide?
The InChIKey is CZYIQYMSZRKYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-12-3-8-15(19-18-12)16-11-13-4-6-14(7-5-13)23(20,21)17-9-10-22-2/h3-8,17H,9-11H2,1-2H3,(H,16,19).
What are the key properties of N-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide?
N-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide has a molecular weight of 336.42 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[[(6-methylpyridazin-3-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 108774940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).