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

C18H17ClF2N2O3S — CID 26692819

IUPACN-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H17ClF2N2O3S/c19-14-11-13(20)5-6-16(14)22-18(24)12-7-9-23(10-8-12)27(25,26)17-4-2-1-3-15(17)21/h1-6,11-12H,7-10H2,(H,22,24)
InChIKeySFQNZOBOKQHRAF-UHFFFAOYSA-N
MW414.86 g/mol
LogP3.66
Rot. Bonds4

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

N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26692819) has the molecular formula C18H17ClF2N2O3S and a molecular weight of 414.86 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26692819
Molecular FormulaC18H17ClF2N2O3S
Molecular Weight414.86 g/mol
Exact Mass414.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H17ClF2N2O3S/c19-14-11-13(20)5-6-16(14)22-18(24)12-7-9-23(10-8-12)27(25,26)17-4-2-1-3-15(17)21/h1-6,11-12H,7-10H2,(H,22,24)
InChIKeySFQNZOBOKQHRAF-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.86
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24635780
N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119422130
1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 26688330
N-(5-chloro-2-phenoxyphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26185187
N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 55796665
1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489
1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
CID 24640994
N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 32558972
N-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55977241
1-(2,5-dichlorophenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358144
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
1-(2-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 26577975

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 26692819) is N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(F)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SFQNZOBOKQHRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O3S/c19-14-11-13(20)5-6-16(14)22-18(24)12-7-9-23(10-8-12)27(25,26)17-4-2-1-3-15(17)21/h1-6,11-12H,7-10H2,(H,22,24).
What are the key properties of N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 414.86 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26692819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).