4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide

C19H18FN3O4S2 — CID 38813023

IUPAC4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1cc(-c2cccs2)on1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H18FN3O4S2/c20-13-3-5-15(6-4-13)29(25,26)22-14-7-9-23(10-8-14)19(24)16-12-17(27-21-16)18-2-1-11-28-18/h1-6,11-12,14,22H,7-10H2
InChIKeyRTMRIBFTJUNZMB-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.13
Rot. Bonds5

About 4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide

4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 38813023) has the molecular formula C19H18FN3O4S2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID38813023
Molecular FormulaC19H18FN3O4S2
Molecular Weight435.50 g/mol
Exact Mass435.07
IUPAC Name4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1cc(-c2cccs2)on1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H18FN3O4S2/c20-13-3-5-15(6-4-13)29(25,26)22-14-7-9-23(10-8-14)19(24)16-12-17(27-21-16)18-2-1-11-28-18/h1-6,11-12,14,22H,7-10H2
InChIKeyRTMRIBFTJUNZMB-UHFFFAOYSA-N
XLogP3.13
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33348830
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 134011505
piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 24858712
morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
(4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 80706468
N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 60511603
4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 38812623
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 34342091
(5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 55486490
N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34347056
furan-3-yl-[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 32534308

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 38813023) is 4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide is O=C(c1cc(-c2cccs2)on1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is RTMRIBFTJUNZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S2/c20-13-3-5-15(6-4-13)29(25,26)22-14-7-9-23(10-8-14)19(24)16-12-17(27-21-16)18-2-1-11-28-18/h1-6,11-12,14,22H,7-10H2.
What are the key properties of 4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 435.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 38813023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).