[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone

C16H17FN2O3S2 — CID 9369441

IUPAC[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H17FN2O3S2/c1-12-5-10-23-15(12)16(20)18-6-8-19(9-7-18)24(21,22)14-4-2-3-13(17)11-14/h2-5,10-11H,6-9H2,1H3
InChIKeyFJGQYICNZWEYRB-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.34
Rot. Bonds3

About [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone

[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 9369441) has the molecular formula C16H17FN2O3S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID9369441
Molecular FormulaC16H17FN2O3S2
Molecular Weight368.46 g/mol
Exact Mass368.07
IUPAC Name[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H17FN2O3S2/c1-12-5-10-23-15(12)16(20)18-6-8-19(9-7-18)24(21,22)14-4-2-3-13(17)11-14/h2-5,10-11H,6-9H2,1H3
InChIKeyFJGQYICNZWEYRB-UHFFFAOYSA-N
XLogP2.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 9369441) is [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is FJGQYICNZWEYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S2/c1-12-5-10-23-15(12)16(20)18-6-8-19(9-7-18)24(21,22)14-4-2-3-13(17)11-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 368.46 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 9369441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).