1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide

C18H22FN3O4S — CID 110397730

IUPAC1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide
SMILESO=C(c1ccco1)N1CCN(CCNS(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FN3O4S/c19-16-5-3-15(4-6-16)14-27(24,25)20-7-8-21-9-11-22(12-10-21)18(23)17-2-1-13-26-17/h1-6,13,20H,7-12,14H2
InChIKeyNJUPOBHVLGOWLW-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.30
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide (PubChem CID 110397730) has the molecular formula C18H22FN3O4S and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide
PubChem CID110397730
Molecular FormulaC18H22FN3O4S
Molecular Weight395.46 g/mol
Exact Mass395.13
IUPAC Name1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide
SMILESO=C(c1ccco1)N1CCN(CCNS(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FN3O4S/c19-16-5-3-15(4-6-16)14-27(24,25)20-7-8-21-9-11-22(12-10-21)18(23)17-2-1-13-26-17/h1-6,13,20H,7-12,14H2
InChIKeyNJUPOBHVLGOWLW-UHFFFAOYSA-N
XLogP1.30
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide
CID 110397721
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 110397722
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide
CID 110397684
2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide
CID 110397647
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859131
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 113073111
N-[1-(furan-2-carbonyl)piperidin-4-yl]-1-phenylmethanesulfonamide
CID 110820123
1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide (CID 110397730) is 1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide is O=C(c1ccco1)N1CCN(CCNS(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide?
The InChIKey is NJUPOBHVLGOWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4S/c19-16-5-3-15(4-6-16)14-27(24,25)20-7-8-21-9-11-22(12-10-21)18(23)17-2-1-13-26-17/h1-6,13,20H,7-12,14H2.
What are the key properties of 1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide has a molecular weight of 395.46 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 110397730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).