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

C19H24FN3O4S — CID 38812623

IUPAC4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1noc(C(C)C)c1C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O4S/c1-12(2)18-17(13(3)21-27-18)19(24)23-10-8-15(9-11-23)22-28(25,26)16-6-4-14(20)5-7-16/h4-7,12,15,22H,8-11H2,1-3H3
InChIKeyDOVODTZZACCGJF-UHFFFAOYSA-N
MW409.48 g/mol
LogP2.83
Rot. Bonds5

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

4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 38812623) has the molecular formula C19H24FN3O4S and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID38812623
Molecular FormulaC19H24FN3O4S
Molecular Weight409.48 g/mol
Exact Mass409.15
IUPAC Name4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1noc(C(C)C)c1C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O4S/c1-12(2)18-17(13(3)21-27-18)19(24)23-10-8-15(9-11-23)22-28(25,26)16-6-4-14(20)5-7-16/h4-7,12,15,22H,8-11H2,1-3H3
InChIKeyDOVODTZZACCGJF-UHFFFAOYSA-N
XLogP2.83
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33173707
N-(4-fluorophenyl)-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazine-1-carboxamide
CID 37443505
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 9156672
4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 34342091
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 60511603
4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 38813023
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26312429
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 38814852
N-[2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 55960755
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294484

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 38812623) is 4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide is Cc1noc(C(C)C)c1C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is DOVODTZZACCGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4S/c1-12(2)18-17(13(3)21-27-18)19(24)23-10-8-15(9-11-23)22-28(25,26)16-6-4-14(20)5-7-16/h4-7,12,15,22H,8-11H2,1-3H3.
What are the key properties of 4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 409.48 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 38812623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).