1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide

C21H19ClFN3O4S — CID 55834748

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C21H19ClFN3O4S/c22-18-11-17(4-5-19(18)23)31(28,29)26-8-6-14(7-9-26)21(27)25-16-3-1-2-15(10-16)20-12-24-13-30-20/h1-5,10-14H,6-9H2,(H,25,27)
InChIKeyDFDMUGDRHVWTGZ-UHFFFAOYSA-N
MW463.92 g/mol
LogP4.17
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide

1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide (PubChem CID 55834748) has the molecular formula C21H19ClFN3O4S and a molecular weight of 463.92 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
PubChem CID55834748
Molecular FormulaC21H19ClFN3O4S
Molecular Weight463.92 g/mol
Exact Mass463.08
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C21H19ClFN3O4S/c22-18-11-17(4-5-19(18)23)31(28,29)26-8-6-14(7-9-26)21(27)25-16-3-1-2-15(10-16)20-12-24-13-30-20/h1-5,10-14H,6-9H2,(H,25,27)
InChIKeyDFDMUGDRHVWTGZ-UHFFFAOYSA-N
XLogP4.17
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.92
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
CID 55834624
N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 39752679
1-(3-chloro-4-fluorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 46529104
N-(3-chloro-4-fluorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26695983
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27991642
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 26914170
1-(4-acetylphenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 26695995
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 1243579
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 39752606
N-(3-chloro-4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4016678
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide (CID 55834748) is 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(-c2cnco2)c1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is DFDMUGDRHVWTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O4S/c22-18-11-17(4-5-19(18)23)31(28,29)26-8-6-14(7-9-26)21(27)25-16-3-1-2-15(10-16)20-12-24-13-30-20/h1-5,10-14H,6-9H2,(H,25,27).
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 463.92 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55834748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).