N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

C19H20ClFN2O3S — CID 24635780

IUPACN-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H20ClFN2O3S/c1-13-6-7-15(20)12-17(13)22-19(24)14-8-10-23(11-9-14)27(25,26)18-5-3-2-4-16(18)21/h2-7,12,14H,8-11H2,1H3,(H,22,24)
InChIKeyQJZJXENIOWLQON-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.83
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 24635780) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID24635780
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC NameN-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H20ClFN2O3S/c1-13-6-7-15(20)12-17(13)22-19(24)14-8-10-23(11-9-14)27(25,26)18-5-3-2-4-16(18)21/h2-7,12,14H,8-11H2,1H3,(H,22,24)
InChIKeyQJZJXENIOWLQON-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-chloro-2-phenoxyphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26185187
N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
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1-(4-chlorophenyl)sulfonyl-N-(5-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 2683625
N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119422130
N-(5-chloro-2-methylphenyl)-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 46351569
1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
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CID 55977241
N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26692913
N-(5-chloro-2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30843616
N-(5-chloro-2-methylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 24635780) is N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QJZJXENIOWLQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c1-13-6-7-15(20)12-17(13)22-19(24)14-8-10-23(11-9-14)27(25,26)18-5-3-2-4-16(18)21/h2-7,12,14H,8-11H2,1H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 410.90 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24635780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).