[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

C16H17FN2O4S — CID 2238809

IUPAC[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1F
InChIInChI=1S/C16H17FN2O4S/c1-12-11-13(4-5-14(12)17)24(21,22)19-8-6-18(7-9-19)16(20)15-3-2-10-23-15/h2-5,10-11H,6-9H2,1H3
InChIKeyJAKXATYCTBXDEU-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.87
Rot. Bonds3

About [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 2238809) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID2238809
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1F
InChIInChI=1S/C16H17FN2O4S/c1-12-11-13(4-5-14(12)17)24(21,22)19-8-6-18(7-9-19)16(20)15-3-2-10-23-15/h2-5,10-11H,6-9H2,1H3
InChIKeyJAKXATYCTBXDEU-UHFFFAOYSA-N
XLogP1.87
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 2905675
(4-Benzenesulfonyl-piperazin-1-yl)-furan-2-yl-methanone
CID 719657
Furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777476
N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171280
2-(4-Fluoro-benzenesulfonylamino)-N-furan-2-ylmethyl-N-(phenethylcarbamoyl-methyl)-acetamide
CID 653223
1-[(4-Chlorobenzyl)sulfonyl]-4-(2-furoyl)piperazine
CID 2230064
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2355620
(E)-3-(2-ethoxyphenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 9509480
1-[(3,4-Dimethylphenyl)sulfonyl]-4-(2-furylmethyl)piperazine
CID 17376577
N-[1-(2-fluorobenzyl)-3-piperidinyl]-N,3,5-trimethyl-2-furamide
CID 24817851
N-Furan-2-ylmethyl-4-(4-methyl-piperidine-1-sulfonyl)-benzamide
CID 1044182

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (CID 2238809) is [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1F.
What is the InChIKey of [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is JAKXATYCTBXDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-12-11-13(4-5-14(12)17)24(21,22)19-8-6-18(7-9-19)16(20)15-3-2-10-23-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 352.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 2238809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).