N-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide

C19H19N3O2S — CID 157019017

IUPACN-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide
SMILESCc1cnnc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1C
InChIInChI=1S/C19H19N3O2S/c1-14-12-20-22-19(15(14)2)17-8-10-18(11-9-17)25(23,24)21-13-16-6-4-3-5-7-16/h3-12,21H,13H2,1-2H3
InChIKeySSNJTBAJYXTVTJ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.24
Rot. Bonds5

About N-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide

N-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide (PubChem CID 157019017) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide
PubChem CID157019017
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide
SMILESCc1cnnc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1C
InChIInChI=1S/C19H19N3O2S/c1-14-12-20-22-19(15(14)2)17-8-10-18(11-9-17)25(23,24)21-13-16-6-4-3-5-7-16/h3-12,21H,13H2,1-2H3
InChIKeySSNJTBAJYXTVTJ-UHFFFAOYSA-N
XLogP3.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide
CID 117078224
N-benzyl-4-(2-methylpropylamino)benzenesulfonamide
CID 735448
4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 165409513
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide
CID 2566445
4-(benzylsulfamoyl)benzenecarbothioamide
CID 3643967
4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
CID 20973707
4-(benzylsulfamoyl)benzoate
CID 4743721
2-[4-(benzylsulfamoyl)phenyl]ethanethioamide
CID 79185403

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide (CID 157019017) is N-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide is Cc1cnnc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1C.
What is the InChIKey of N-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide?
The InChIKey is SSNJTBAJYXTVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14-12-20-22-19(15(14)2)17-8-10-18(11-9-17)25(23,24)21-13-16-6-4-3-5-7-16/h3-12,21H,13H2,1-2H3.
What are the key properties of N-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide?
N-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide has a molecular weight of 353.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 157019017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).