2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide

C15H15ClN6O2S — CID 16654544

IUPAC2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1ccc(-n2cccn2)nn1)c1ccccc1Cl
InChIInChI=1S/C15H15ClN6O2S/c16-12-4-1-2-5-13(12)25(23,24)19-10-9-17-14-6-7-15(21-20-14)22-11-3-8-18-22/h1-8,11,19H,9-10H2,(H,17,20)
InChIKeyWCGHHIYYHKCQFD-UHFFFAOYSA-N
MW378.85 g/mol
LogP1.71
Rot. Bonds7

About 2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide

2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide (PubChem CID 16654544) has the molecular formula C15H15ClN6O2S and a molecular weight of 378.85 g/mol. Its IUPAC name is 2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
PubChem CID16654544
Molecular FormulaC15H15ClN6O2S
Molecular Weight378.85 g/mol
Exact Mass378.07
IUPAC Name2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1ccc(-n2cccn2)nn1)c1ccccc1Cl
InChIInChI=1S/C15H15ClN6O2S/c16-12-4-1-2-5-13(12)25(23,24)19-10-9-17-14-6-7-15(21-20-14)22-11-3-8-18-22/h1-8,11,19H,9-10H2,(H,17,20)
InChIKeyWCGHHIYYHKCQFD-UHFFFAOYSA-N
XLogP1.71
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.85
LogP ≤ 51.71
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

3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122292893
4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122292941
2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide
CID 122292910
3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 55635678
3-methyl-2-oxo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-benzoxazole-5-sulfonamide
CID 122292909
2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177472
2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 16654523
N-ethyl-6-pyrazol-1-ylpyridazin-3-amine
CID 130693230
2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
CID 16654552
4-pyrazol-1-yl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122289030
2-[methyl(methylsulfonyl)amino]-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292782
2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 110720133

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide (CID 16654544) is 2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide is O=S(=O)(NCCNc1ccc(-n2cccn2)nn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is WCGHHIYYHKCQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O2S/c16-12-4-1-2-5-13(12)25(23,24)19-10-9-17-14-6-7-15(21-20-14)22-11-3-8-18-22/h1-8,11,19H,9-10H2,(H,17,20).
What are the key properties of 2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 378.85 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 16654544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).