N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide

C20H24F2N2O2S — CID 60534426

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c(C)c1
InChIInChI=1S/C20H24F2N2O2S/c1-14-3-6-20(15(2)11-14)27(25,26)23-17-7-9-24(10-8-17)13-16-4-5-18(21)19(22)12-16/h3-6,11-12,17,23H,7-10,13H2,1-2H3
InChIKeyPDPLBKUXOQUAKQ-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.52
Rot. Bonds5

About N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 60534426) has the molecular formula C20H24F2N2O2S and a molecular weight of 394.49 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID60534426
Molecular FormulaC20H24F2N2O2S
Molecular Weight394.49 g/mol
Exact Mass394.15
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c(C)c1
InChIInChI=1S/C20H24F2N2O2S/c1-14-3-6-20(15(2)11-14)27(25,26)23-17-7-9-24(10-8-17)13-16-4-5-18(21)19(22)12-16/h3-6,11-12,17,23H,7-10,13H2,1-2H3
InChIKeyPDPLBKUXOQUAKQ-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyanomethyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 63625380
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 52665329
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 17456820
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pent-4-yne-1-sulfonamide
CID 100613834
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566788
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566141
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108565780
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 55950566
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669814
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 39659124

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide (CID 60534426) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c(C)c1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is PDPLBKUXOQUAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2S/c1-14-3-6-20(15(2)11-14)27(25,26)23-17-7-9-24(10-8-17)13-16-4-5-18(21)19(22)12-16/h3-6,11-12,17,23H,7-10,13H2,1-2H3.
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 394.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 60534426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).