2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide

C17H19ClFN3O4S — CID 108563065

IUPAC2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(NC(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H19ClFN3O4S/c1-10-16(11(2)26-21-10)27(24,25)22-8-6-12(7-9-22)20-17(23)15-13(18)4-3-5-14(15)19/h3-5,12H,6-9H2,1-2H3,(H,20,23)
InChIKeyHFJWVPFEDAMNBY-UHFFFAOYSA-N
MW415.87 g/mol
LogP2.67
Rot. Bonds4

About 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide

2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide (PubChem CID 108563065) has the molecular formula C17H19ClFN3O4S and a molecular weight of 415.87 g/mol. Its IUPAC name is 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide
PubChem CID108563065
Molecular FormulaC17H19ClFN3O4S
Molecular Weight415.87 g/mol
Exact Mass415.08
IUPAC Name2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(NC(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H19ClFN3O4S/c1-10-16(11(2)26-21-10)27(24,25)22-8-6-12(7-9-22)20-17(23)15-13(18)4-3-5-14(15)19/h3-5,12H,6-9H2,1-2H3,(H,20,23)
InChIKeyHFJWVPFEDAMNBY-UHFFFAOYSA-N
XLogP2.67
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.87
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide with MolForge

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Related Compounds

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108562392
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108562023
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 27364501
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 26688834
N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26692913
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108559543
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetamide
CID 108558954
4-[4-(2,6-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080468
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108560873

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide (CID 108563065) is 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide is Cc1noc(C)c1S(=O)(=O)N1CCC(NC(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide?
The InChIKey is HFJWVPFEDAMNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O4S/c1-10-16(11(2)26-21-10)27(24,25)22-8-6-12(7-9-22)20-17(23)15-13(18)4-3-5-14(15)19/h3-5,12H,6-9H2,1-2H3,(H,20,23).
What are the key properties of 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide?
2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide has a molecular weight of 415.87 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide is sourced from PubChem (CID 108563065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).