2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide

C19H26FN3O5S — CID 38491478

IUPAC2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H26FN3O5S/c1-14(21-29(26,27)17-5-3-2-4-16(17)20)18(24)22-8-6-15(7-9-22)19(25)23-10-12-28-13-11-23/h2-5,14-15,21H,6-13H2,1H3/t14-/m0/s1
InChIKeyZNQIINXXIRMTGD-AWEZNQCLSA-N
MW427.50 g/mol
LogP0.59
Rot. Bonds5

About 2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide

2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 38491478) has the molecular formula C19H26FN3O5S and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID38491478
Molecular FormulaC19H26FN3O5S
Molecular Weight427.50 g/mol
Exact Mass427.16
IUPAC Name2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H26FN3O5S/c1-14(21-29(26,27)17-5-3-2-4-16(17)20)18(24)22-8-6-15(7-9-22)19(25)23-10-12-28-13-11-23/h2-5,14-15,21H,6-13H2,1H3/t14-/m0/s1
InChIKeyZNQIINXXIRMTGD-AWEZNQCLSA-N
XLogP0.59
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

Ethyl 4-[[1-(4-fluorophenyl)sulfonylpiperidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 5309079
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
1-Benzenesulfonyl-piperidine-4-carboxylic acid ([1,4]dioxan-2-ylmethyl)-amide
CID 645869
1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 651280
Morpholino[1-(phenylsulfonyl)-4-piperidinyl]methanone
CID 802533
1-{2-[Cyclohexyl-(4-fluoro-benzenesulfonyl)-amino]-acetyl}-piperidine-4-carboxylic acid amide
CID 1072980
1-[1-(Benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 1084370
2-[(2-Benzenesulfonylamino-acetyl)-(2-morpholin-4-yl-ethyl)-amino]-N-tert-butyl-3-methyl-butyramide
CID 3207184
N'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 3308299
2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide
CID 4878801
{1-[(4-Fluorophenyl)sulfonyl]piperidin-3-yl}(morpholin-4-yl)methanone
CID 6488366
2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-(3-morpholin-4-yl-propyl)-acetamide
CID 6493539

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide (CID 38491478) is 2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is ZNQIINXXIRMTGD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26FN3O5S/c1-14(21-29(26,27)17-5-3-2-4-16(17)20)18(24)22-8-6-15(7-9-22)19(25)23-10-12-28-13-11-23/h2-5,14-15,21H,6-13H2,1H3/t14-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 427.50 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 38491478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).