2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide

C18H20F2N2O6S2 — CID 90590475

IUPAC2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1c(F)cccc1F)N1CCC(S(=O)(=O)Cc2ccco2)CC1
InChIInChI=1S/C18H20F2N2O6S2/c19-15-4-1-5-16(20)18(15)30(26,27)21-11-17(23)22-8-6-14(7-9-22)29(24,25)12-13-3-2-10-28-13/h1-5,10,14,21H,6-9,11-12H2
InChIKeyREUVQULCJGPMCU-UHFFFAOYSA-N
MW462.50 g/mol
LogP1.44
Rot. Bonds7

About 2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide

2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 90590475) has the molecular formula C18H20F2N2O6S2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID90590475
Molecular FormulaC18H20F2N2O6S2
Molecular Weight462.50 g/mol
Exact Mass462.07
IUPAC Name2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1c(F)cccc1F)N1CCC(S(=O)(=O)Cc2ccco2)CC1
InChIInChI=1S/C18H20F2N2O6S2/c19-15-4-1-5-16(20)18(15)30(26,27)21-11-17(23)22-8-6-14(7-9-22)29(24,25)12-13-3-2-10-28-13/h1-5,10,14,21H,6-9,11-12H2
InChIKeyREUVQULCJGPMCU-UHFFFAOYSA-N
XLogP1.44
TPSA113.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 90586387
2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 90586879
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 90590612
2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide
CID 146122653
3-(4-chloro-3-fluorophenyl)-1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]propan-1-one
CID 71808880
2,6-difluoro-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8713521
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one
CID 90590502
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 90590567
4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90590668
3-(3,5-ditert-butylphenyl)-1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]propan-1-one
CID 90590483
(4-tert-butylphenyl)-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590625
N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide
CID 90590653

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide (CID 90590475) is 2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1c(F)cccc1F)N1CCC(S(=O)(=O)Cc2ccco2)CC1.
What is the InChIKey of 2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is REUVQULCJGPMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O6S2/c19-15-4-1-5-16(20)18(15)30(26,27)21-11-17(23)22-8-6-14(7-9-22)29(24,25)12-13-3-2-10-28-13/h1-5,10,14,21H,6-9,11-12H2.
What are the key properties of 2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 462.50 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 90590475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).