[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone

C16H16F2N2O4S — CID 55823789

IUPAC[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C16H16F2N2O4S/c17-16(18)25(22,23)13-5-3-12(4-6-13)19-7-9-20(10-8-19)15(21)14-2-1-11-24-14/h1-6,11,16H,7-10H2
InChIKeyZGVSNAXIKZADEC-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.24
Rot. Bonds4

About [4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 55823789) has the molecular formula C16H16F2N2O4S and a molecular weight of 370.38 g/mol. Its IUPAC name is [4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID55823789
Molecular FormulaC16H16F2N2O4S
Molecular Weight370.38 g/mol
Exact Mass370.08
IUPAC Name[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C16H16F2N2O4S/c17-16(18)25(22,23)13-5-3-12(4-6-13)19-7-9-20(10-8-19)15(21)14-2-1-11-24-14/h1-6,11,16H,7-10H2
InChIKeyZGVSNAXIKZADEC-UHFFFAOYSA-N
XLogP2.24
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 42558382
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate
CID 110672918
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
CID 112984587
3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one
CID 171977750
3-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 649966
furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 754221
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 34472481
azepan-1-yl(furan-2-yl)methanone
CID 5200992
N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide
CID 3775662
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 108986173
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740

Frequently Asked Questions

What is the IUPAC name of [4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 55823789) is [4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1.
What is the InChIKey of [4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is ZGVSNAXIKZADEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4S/c17-16(18)25(22,23)13-5-3-12(4-6-13)19-7-9-20(10-8-19)15(21)14-2-1-11-24-14/h1-6,11,16H,7-10H2.
What are the key properties of [4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 370.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 55823789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).