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

C16H19ClFN5O3S — CID 122321698

IUPAC3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1cc(N2CCOCC2)cnn1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H19ClFN5O3S/c17-14-10-13(1-2-15(14)18)27(24,25)21-4-3-19-16-9-12(11-20-22-16)23-5-7-26-8-6-23/h1-2,9-11,21H,3-8H2,(H,19,22)
InChIKeyCBYNUQZRCTUVDU-UHFFFAOYSA-N
MW415.88 g/mol
LogP1.50
Rot. Bonds7

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

3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide (PubChem CID 122321698) has the molecular formula C16H19ClFN5O3S and a molecular weight of 415.88 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
PubChem CID122321698
Molecular FormulaC16H19ClFN5O3S
Molecular Weight415.88 g/mol
Exact Mass415.09
IUPAC Name3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1cc(N2CCOCC2)cnn1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H19ClFN5O3S/c17-14-10-13(1-2-15(14)18)27(24,25)21-4-3-19-16-9-12(11-20-22-16)23-5-7-26-8-6-23/h1-2,9-11,21H,3-8H2,(H,19,22)
InChIKeyCBYNUQZRCTUVDU-UHFFFAOYSA-N
XLogP1.50
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 51.50
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-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122321478
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-nitrobenzenesulfonamide
CID 122321788
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenoxybenzenesulfonamide
CID 122321494
1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122321727
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
1-ethyl-2-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122321748
2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321685
3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide
CID 42267989
3-chloro-4-methoxy-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122328127
3-fluoro-4-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321616
3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891189

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide (CID 122321698) is 3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide is O=S(=O)(NCCNc1cc(N2CCOCC2)cnn1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is CBYNUQZRCTUVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN5O3S/c17-14-10-13(1-2-15(14)18)27(24,25)21-4-3-19-16-9-12(11-20-22-16)23-5-7-26-8-6-23/h1-2,9-11,21H,3-8H2,(H,19,22).
What are the key properties of 3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 415.88 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 122321698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).