[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

C18H17ClN4O3S2 — CID 20910818

IUPAC[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C18H17ClN4O3S2/c19-16-6-7-17(27-16)28(25,26)23-10-8-22(9-11-23)18(24)15-12-14(20-21-15)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,20,21)
InChIKeyFDWITEWQEXIPMY-UHFFFAOYSA-N
MW436.95 g/mol
LogP2.94
Rot. Bonds4

About [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 20910818) has the molecular formula C18H17ClN4O3S2 and a molecular weight of 436.95 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID20910818
Molecular FormulaC18H17ClN4O3S2
Molecular Weight436.95 g/mol
Exact Mass436.04
IUPAC Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C18H17ClN4O3S2/c19-16-6-7-17(27-16)28(25,26)23-10-8-22(9-11-23)18(24)15-12-14(20-21-15)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,20,21)
InChIKeyFDWITEWQEXIPMY-UHFFFAOYSA-N
XLogP2.94
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052
3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110738
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 7944521
(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 6470865
N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
CID 46564070
(2-anilinophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 27768627
[3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19515178
(2-bromophenyl)-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 20910987
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 26679152
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110805258
(2-chloro-5-methylsulfanylphenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 27768652
[4-(aminomethyl)phenyl]-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 119268885

Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 20910818) is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is FDWITEWQEXIPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S2/c19-16-6-7-17(27-16)28(25,26)23-10-8-22(9-11-23)18(24)15-12-14(20-21-15)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,20,21).
What are the key properties of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 436.95 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 20910818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).