2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide

C21H23N3O3S — CID 27475732

IUPAC2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1C
InChIInChI=1S/C21H23N3O3S/c1-15-13-17(3)20(14-16(15)2)28(25,26)22-11-12-27-21-10-9-19(23-24-21)18-7-5-4-6-8-18/h4-10,13-14,22H,11-12H2,1-3H3
InChIKeyNMVPXLILEDQHQN-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.43
Rot. Bonds7

About 2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide

2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide (PubChem CID 27475732) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
PubChem CID27475732
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1C
InChIInChI=1S/C21H23N3O3S/c1-15-13-17(3)20(14-16(15)2)28(25,26)22-11-12-27-21-10-9-19(23-24-21)18-7-5-4-6-8-18/h4-10,13-14,22H,11-12H2,1-3H3
InChIKeyNMVPXLILEDQHQN-UHFFFAOYSA-N
XLogP3.43
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27444766
3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide
CID 16823927
2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 27509470
4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27443621
4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27564854
N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 41246930
3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246365
2-methyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1,3-benzothiazole-6-sulfonamide
CID 41246315
3-nitro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 18588329
2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246415
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 41246444
4-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845013

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide (CID 27475732) is 2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The InChIKey is NMVPXLILEDQHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-13-17(3)20(14-16(15)2)28(25,26)22-11-12-27-21-10-9-19(23-24-21)18-7-5-4-6-8-18/h4-10,13-14,22H,11-12H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide is sourced from PubChem (CID 27475732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).