N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C19H20ClFN2O4S — CID 1072832

IUPACN-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1Cl
InChIInChI=1S/C19H20ClFN2O4S/c1-27-18-7-4-15(12-17(18)20)22-19(24)13-8-10-23(11-9-13)28(25,26)16-5-2-14(21)3-6-16/h2-7,12-13H,8-11H2,1H3,(H,22,24)
InChIKeyPLWPJIDZULZLPW-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.53
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1072832) has the molecular formula C19H20ClFN2O4S and a molecular weight of 426.90 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1072832
Molecular FormulaC19H20ClFN2O4S
Molecular Weight426.90 g/mol
Exact Mass426.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1Cl
InChIInChI=1S/C19H20ClFN2O4S/c1-27-18-7-4-15(12-17(18)20)22-19(24)13-8-10-23(11-9-13)28(25,26)16-5-2-14(21)3-6-16/h2-7,12-13H,8-11H2,1H3,(H,22,24)
InChIKeyPLWPJIDZULZLPW-UHFFFAOYSA-N
XLogP3.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 1072832) is N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is PLWPJIDZULZLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O4S/c1-27-18-7-4-15(12-17(18)20)22-19(24)13-8-10-23(11-9-13)28(25,26)16-5-2-14(21)3-6-16/h2-7,12-13H,8-11H2,1H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1072832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).