N-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide

C18H22F2N2O3S — CID 126801570

IUPACN-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(Cc2ccc(-c3c(F)cccc3F)o2)CC1
InChIInChI=1S/C18H22F2N2O3S/c1-2-26(23,24)21-13-8-10-22(11-9-13)12-14-6-7-17(25-14)18-15(19)4-3-5-16(18)20/h3-7,13,21H,2,8-12H2,1H3
InChIKeyNOQHZKHKZPRIOY-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.13
Rot. Bonds6

About N-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide

N-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide (PubChem CID 126801570) has the molecular formula C18H22F2N2O3S and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide
PubChem CID126801570
Molecular FormulaC18H22F2N2O3S
Molecular Weight384.45 g/mol
Exact Mass384.13
IUPAC NameN-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(Cc2ccc(-c3c(F)cccc3F)o2)CC1
InChIInChI=1S/C18H22F2N2O3S/c1-2-26(23,24)21-13-8-10-22(11-9-13)12-14-6-7-17(25-14)18-15(19)4-3-5-16(18)20/h3-7,13,21H,2,8-12H2,1H3
InChIKeyNOQHZKHKZPRIOY-UHFFFAOYSA-N
XLogP3.13
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide
CID 126813477
2-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]acetamide
CID 75438634
N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide
CID 95331166
2-[[1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042846
methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 99779031
N-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide
CID 167821274
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
1-[(2,3-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923818
1-[(5-methylfuran-2-yl)methyl]-N-propylpiperidin-4-amine
CID 62524387
N-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide
CID 84593108
N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 86854125
1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine
CID 121183067

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide (CID 126801570) is N-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(Cc2ccc(-c3c(F)cccc3F)o2)CC1.
What is the InChIKey of N-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is NOQHZKHKZPRIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O3S/c1-2-26(23,24)21-13-8-10-22(11-9-13)12-14-6-7-17(25-14)18-15(19)4-3-5-16(18)20/h3-7,13,21H,2,8-12H2,1H3.
What are the key properties of N-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide?
N-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 384.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 126801570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).