3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide

C17H23N5O3S — CID 122321478

IUPAC3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)cnn2)c1
InChIInChI=1S/C17H23N5O3S/c1-14-3-2-4-16(11-14)26(23,24)20-6-5-18-17-12-15(13-19-21-17)22-7-9-25-10-8-22/h2-4,11-13,20H,5-10H2,1H3,(H,18,21)
InChIKeyZDLPTLZJBJOVSL-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.01
Rot. Bonds7

About 3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide

3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide (PubChem CID 122321478) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
PubChem CID122321478
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)cnn2)c1
InChIInChI=1S/C17H23N5O3S/c1-14-3-2-4-16(11-14)26(23,24)20-6-5-18-17-12-15(13-19-21-17)22-7-9-25-10-8-22/h2-4,11-13,20H,5-10H2,1H3,(H,18,21)
InChIKeyZDLPTLZJBJOVSL-UHFFFAOYSA-N
XLogP1.01
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbenzenesulfonamide
CID 122321493
3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122321698
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenoxybenzenesulfonamide
CID 122321494
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-nitrobenzenesulfonamide
CID 122321788
1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122321727
1-ethyl-2-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122321748
3-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 121075503
2,4,5-trimethyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122321099
2-bromo-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122321369
1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321473
3-fluoro-4-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321616
2-(2-methylphenoxy)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321557

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide (CID 122321478) is 3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)cnn2)c1.
What is the InChIKey of 3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is ZDLPTLZJBJOVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-14-3-2-4-16(11-14)26(23,24)20-6-5-18-17-12-15(13-19-21-17)22-7-9-25-10-8-22/h2-4,11-13,20H,5-10H2,1H3,(H,18,21).
What are the key properties of 3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 122321478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).