N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide

C25H28F2N2O6S2 — CID 24730675

IUPACN-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)C2CCN(Cc3ccccc3OC(F)F)CC2)c1
InChIInChI=1S/C25H28F2N2O6S2/c1-36(30,31)22-8-4-9-23(16-22)37(32,33)29(18-21-7-5-15-34-21)20-11-13-28(14-12-20)17-19-6-2-3-10-24(19)35-25(26)27/h2-10,15-16,20,25H,11-14,17-18H2,1H3
InChIKeyDYACNAMNRZEXIN-UHFFFAOYSA-N
MW554.64 g/mol
LogP4.14
Rot. Bonds10

About N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide

N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide (PubChem CID 24730675) has the molecular formula C25H28F2N2O6S2 and a molecular weight of 554.64 g/mol. Its IUPAC name is N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide
PubChem CID24730675
Molecular FormulaC25H28F2N2O6S2
Molecular Weight554.64 g/mol
Exact Mass554.14
IUPAC NameN-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)C2CCN(Cc3ccccc3OC(F)F)CC2)c1
InChIInChI=1S/C25H28F2N2O6S2/c1-36(30,31)22-8-4-9-23(16-22)37(32,33)29(18-21-7-5-15-34-21)20-11-13-28(14-12-20)17-19-6-2-3-10-24(19)35-25(26)27/h2-10,15-16,20,25H,11-14,17-18H2,1H3
InChIKeyDYACNAMNRZEXIN-UHFFFAOYSA-N
XLogP4.14
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.64
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 24732428
N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide
CID 24731443
N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 87032912
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 71889824
3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 115328878
[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909783
N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 60585103
N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 24732704
N-cyclopentyl-N-(furan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 47268204
methyl 1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112730646
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide
CID 46055237
methyl 4-[[4-[furan-2-ylmethyl-(4-methylsulfonylbenzoyl)amino]piperidin-1-yl]methyl]benzoate
CID 24732494

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide (CID 24730675) is N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)C2CCN(Cc3ccccc3OC(F)F)CC2)c1.
What is the InChIKey of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide?
The InChIKey is DYACNAMNRZEXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N2O6S2/c1-36(30,31)22-8-4-9-23(16-22)37(32,33)29(18-21-7-5-15-34-21)20-11-13-28(14-12-20)17-19-6-2-3-10-24(19)35-25(26)27/h2-10,15-16,20,25H,11-14,17-18H2,1H3.
What are the key properties of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide?
N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide has a molecular weight of 554.64 g/mol, XLogP of 4.14, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 24730675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).