2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide

C14H20FN3O3S — CID 34267887

IUPAC2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NS(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H20FN3O3S/c1-16-14(19)10-18-7-5-12(6-8-18)17-22(20,21)13-4-2-3-11(15)9-13/h2-4,9,12,17H,5-8,10H2,1H3,(H,16,19)
InChIKeyLEEDTBGMTNBNGT-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.31
Rot. Bonds5

About 2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide

2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 34267887) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID34267887
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NS(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H20FN3O3S/c1-16-14(19)10-18-7-5-12(6-8-18)17-22(20,21)13-4-2-3-11(15)9-13/h2-4,9,12,17H,5-8,10H2,1H3,(H,16,19)
InChIKeyLEEDTBGMTNBNGT-UHFFFAOYSA-N
XLogP0.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
CID 34268559
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-cyclopropyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27664766
3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61126995
N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide
CID 113271378
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide
CID 18137011
N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 119970669
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
CID 47017423
N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30855365
2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide
CID 112820169
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 47958214

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide (CID 34267887) is 2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NS(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is LEEDTBGMTNBNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-16-14(19)10-18-7-5-12(6-8-18)17-22(20,21)13-4-2-3-11(15)9-13/h2-4,9,12,17H,5-8,10H2,1H3,(H,16,19).
What are the key properties of 2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide?
2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 329.40 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 34267887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).