[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C15H13ClF3N3O3S2 — CID 33170470

IUPAC[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H13ClF3N3O3S2/c16-12-3-4-13(26-12)27(24,25)22-7-5-21(6-8-22)14(23)10-1-2-11(20-9-10)15(17,18)19/h1-4,9H,5-8H2
InChIKeyHCBBLEBKWFRUGA-UHFFFAOYSA-N
MW439.87 g/mol
LogP2.96
Rot. Bonds3

About [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 33170470) has the molecular formula C15H13ClF3N3O3S2 and a molecular weight of 439.87 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID33170470
Molecular FormulaC15H13ClF3N3O3S2
Molecular Weight439.87 g/mol
Exact Mass439.00
IUPAC Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H13ClF3N3O3S2/c16-12-3-4-13(26-12)27(24,25)22-7-5-21(6-8-22)14(23)10-1-2-11(20-9-10)15(17,18)19/h1-4,9H,5-8H2
InChIKeyHCBBLEBKWFRUGA-UHFFFAOYSA-N
XLogP2.96
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.87
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[4-(aminomethyl)phenyl]-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 119268885
phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 33497333
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 7944521
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110805258
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
CID 27768598
[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 91816881
(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 6470865
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
CID 46564070
(4-benzylpiperazin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 30773012
1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122332091
[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797097

Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 33170470) is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is HCBBLEBKWFRUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O3S2/c16-12-3-4-13(26-12)27(24,25)22-7-5-21(6-8-22)14(23)10-1-2-11(20-9-10)15(17,18)19/h1-4,9H,5-8H2.
What are the key properties of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 439.87 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 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]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 33170470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).