[5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone

C19H22F2N4O4S — CID 127244589

IUPAC[5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn[nH]c1C1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1)N1CCOCC1
InChIInChI=1S/C19H22F2N4O4S/c20-15-5-4-13(11-16(15)21)30(27,28)25-6-2-1-3-17(25)18-14(12-22-23-18)19(26)24-7-9-29-10-8-24/h4-5,11-12,17H,1-3,6-10H2,(H,22,23)
InChIKeyHENYPRAUYLEDPV-UHFFFAOYSA-N
MW440.47 g/mol
LogP2.08
Rot. Bonds4

About [5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone

[5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 127244589) has the molecular formula C19H22F2N4O4S and a molecular weight of 440.47 g/mol. Its IUPAC name is [5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID127244589
Molecular FormulaC19H22F2N4O4S
Molecular Weight440.47 g/mol
Exact Mass440.13
IUPAC Name[5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn[nH]c1C1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1)N1CCOCC1
InChIInChI=1S/C19H22F2N4O4S/c20-15-5-4-13(11-16(15)21)30(27,28)25-6-2-1-3-17(25)18-14(12-22-23-18)19(26)24-7-9-29-10-8-24/h4-5,11-12,17H,1-3,6-10H2,(H,22,23)
InChIKeyHENYPRAUYLEDPV-UHFFFAOYSA-N
XLogP2.08
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[5-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]methanone
CID 110088119
[5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
CID 124948630
5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110088094
1-(3,4-difluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43235907
cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 32651804
[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 51307377
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
morpholin-4-yl-[5-[(3R)-piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 98041423
1-(3,4-difluorophenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 17499394
[(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone
CID 95173055
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 25341652
5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 125007017

Frequently Asked Questions

What is the IUPAC name of [5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone (CID 127244589) is [5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone is O=C(c1cn[nH]c1C1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1)N1CCOCC1.
What is the InChIKey of [5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is HENYPRAUYLEDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O4S/c20-15-5-4-13(11-16(15)21)30(27,28)25-6-2-1-3-17(25)18-14(12-22-23-18)19(26)24-7-9-29-10-8-24/h4-5,11-12,17H,1-3,6-10H2,(H,22,23).
What are the key properties of [5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone?
[5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 440.47 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 127244589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).