2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide

C14H19F2N3O3S — CID 34268559

IUPAC2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NS(=O)(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C14H19F2N3O3S/c1-17-14(20)9-19-4-2-12(3-5-19)18-23(21,22)13-7-10(15)6-11(16)8-13/h6-8,12,18H,2-5,9H2,1H3,(H,17,20)
InChIKeyIMYHTYAEECXOQO-UHFFFAOYSA-N
MW347.39 g/mol
LogP0.45
Rot. Bonds5

About 2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide

2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 34268559) has the molecular formula C14H19F2N3O3S and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID34268559
Molecular FormulaC14H19F2N3O3S
Molecular Weight347.39 g/mol
Exact Mass347.11
IUPAC Name2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NS(=O)(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C14H19F2N3O3S/c1-17-14(20)9-19-4-2-12(3-5-19)18-23(21,22)13-7-10(15)6-11(16)8-13/h6-8,12,18H,2-5,9H2,1H3,(H,17,20)
InChIKeyIMYHTYAEECXOQO-UHFFFAOYSA-N
XLogP0.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
CID 34267887
N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide
CID 126769864
N-cyclopropyl-3,5-difluorobenzenesulfonamide
CID 60648847
N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide
CID 61275918
3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 55204348
2-[4-[(3,5-dichlorophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 86915412
2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 37218704
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide
CID 18137011
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 60508249
2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide
CID 112820169
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
CID 47017423

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide (CID 34268559) is 2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NS(=O)(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is IMYHTYAEECXOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O3S/c1-17-14(20)9-19-4-2-12(3-5-19)18-23(21,22)13-7-10(15)6-11(16)8-13/h6-8,12,18H,2-5,9H2,1H3,(H,17,20).
What are the key properties of 2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide?
2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 347.39 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 34268559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).