3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine

C18H17ClN4O2S2 — CID 42110738

IUPAC3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C18H17ClN4O2S2/c19-16-7-9-18(26-16)27(24,25)23-12-10-22(11-13-23)17-8-6-15(20-21-17)14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyBMBILBHIPVMXBF-UHFFFAOYSA-N
MW420.95 g/mol
LogP3.37
Rot. Bonds4

About 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine

3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine (PubChem CID 42110738) has the molecular formula C18H17ClN4O2S2 and a molecular weight of 420.95 g/mol. Its IUPAC name is 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
PubChem CID42110738
Molecular FormulaC18H17ClN4O2S2
Molecular Weight420.95 g/mol
Exact Mass420.05
IUPAC Name3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C18H17ClN4O2S2/c19-16-7-9-18(26-16)27(24,25)23-12-10-22(11-13-23)17-8-6-15(20-21-17)14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyBMBILBHIPVMXBF-UHFFFAOYSA-N
XLogP3.37
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.95
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine
CID 42110742
1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 60563458
4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-(4-fluorophenyl)pyrimidine
CID 121107498
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 20910818
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110748
3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490653
5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 22576140
1-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335073
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248163
(1R)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248165
4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 26539789

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine?
The IUPAC name of 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine (CID 42110738) is 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine.
What is the SMILES notation for 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine?
The canonical SMILES for 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine is O=S(=O)(c1ccc(Cl)s1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine?
The InChIKey is BMBILBHIPVMXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S2/c19-16-7-9-18(26-16)27(24,25)23-12-10-22(11-13-23)17-8-6-15(20-21-17)14-4-2-1-3-5-14/h1-9H,10-13H2.
What are the key properties of 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine?
3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine has a molecular weight of 420.95 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine is sourced from PubChem (CID 42110738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).