5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide

C17H13ClN6O2S2 — CID 122292165

IUPAC5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C17H13ClN6O2S2/c18-14-6-9-17(27-14)28(25,26)23-13-4-2-12(3-5-13)20-15-7-8-16(22-21-15)24-11-1-10-19-24/h1-11,23H,(H,20,21)
InChIKeyWXQQHFIZOFULAZ-UHFFFAOYSA-N
MW432.92 g/mol
LogP3.92
Rot. Bonds6

About 5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide (PubChem CID 122292165) has the molecular formula C17H13ClN6O2S2 and a molecular weight of 432.92 g/mol. Its IUPAC name is 5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide
PubChem CID122292165
Molecular FormulaC17H13ClN6O2S2
Molecular Weight432.92 g/mol
Exact Mass432.02
IUPAC Name5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C17H13ClN6O2S2/c18-14-6-9-17(27-14)28(25,26)23-13-4-2-12(3-5-13)20-15-7-8-16(22-21-15)24-11-1-10-19-24/h1-11,23H,(H,20,21)
InChIKeyWXQQHFIZOFULAZ-UHFFFAOYSA-N
XLogP3.92
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 16802116
3,4-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 16802107
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122292202
4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122292201
2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 70702543
5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide
CID 122306400
5-chloro-N-[6-(4-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113022936
N-[[5-[[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122304945
5-chloro-N-imidazo[1,2-a]pyridin-6-ylthiophene-2-sulfonamide
CID 110734785
3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802137
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122292158
5-chloro-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide
CID 122296879

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide (CID 122292165) is 5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide?
The InChIKey is WXQQHFIZOFULAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2S2/c18-14-6-9-17(27-14)28(25,26)23-13-4-2-12(3-5-13)20-15-7-8-16(22-21-15)24-11-1-10-19-24/h1-11,23H,(H,20,21).
What are the key properties of 5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide has a molecular weight of 432.92 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122292165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).