2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide

C14H20FN3O3S — CID 119387270

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide
SMILESCC(NS(=O)(=O)c1ccccc1F)C(=O)NC1CCNCC1
InChIInChI=1S/C14H20FN3O3S/c1-10(14(19)17-11-6-8-16-9-7-11)18-22(20,21)13-5-3-2-4-12(13)15/h2-5,10-11,16,18H,6-9H2,1H3,(H,17,19)
InChIKeyFXVLSOCBZOZTHQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.36
Rot. Bonds5

About 2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide

2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide (PubChem CID 119387270) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide
PubChem CID119387270
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide
SMILESCC(NS(=O)(=O)c1ccccc1F)C(=O)NC1CCNCC1
InChIInChI=1S/C14H20FN3O3S/c1-10(14(19)17-11-6-8-16-9-7-11)18-22(20,21)13-5-3-2-4-12(13)15/h2-5,10-11,16,18H,6-9H2,1H3,(H,17,19)
InChIKeyFXVLSOCBZOZTHQ-UHFFFAOYSA-N
XLogP0.36
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-[(phenylsulfonyl)amino]ethyl}acetamide
CID 235761
N~1~-cyclopentyl-N~2~-(phenylsulfonyl)alaninamide
CID 2957593
N-cyclopropyl-N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 975127
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 2129437
2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2229748
1-[N-(phenylsulfonyl)glycylglycyl]piperidine
CID 2233338
N-cyclopentyl-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2985558
N-ethyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 2991053
Ethyl 4-[[1-(4-fluorophenyl)sulfonylpiperidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 5309079
4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide
CID 1433329
N-cyclohexyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3158860
(S)-N-butyl-3-((S)-2-(4-fluorophenylsulfonamido)-3-methylbutanamido)-5-methyl-2-oxohexanamide
CID 9956417

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide (CID 119387270) is 2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide is CC(NS(=O)(=O)c1ccccc1F)C(=O)NC1CCNCC1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide?
The InChIKey is FXVLSOCBZOZTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-10(14(19)17-11-6-8-16-9-7-11)18-22(20,21)13-5-3-2-4-12(13)15/h2-5,10-11,16,18H,6-9H2,1H3,(H,17,19).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide?
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide has a molecular weight of 329.40 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 119387270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).