N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide

C19H19ClF2N2O3S — CID 50810841

IUPACN-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H19ClF2N2O3S/c20-17-10-16(7-8-18(17)22)23-19(25)14-2-1-9-24(11-14)28(26,27)12-13-3-5-15(21)6-4-13/h3-8,10,14H,1-2,9,11-12H2,(H,23,25)
InChIKeyXRQBCNMCTUPUDE-UHFFFAOYSA-N
MW428.89 g/mol
LogP3.80
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide (PubChem CID 50810841) has the molecular formula C19H19ClF2N2O3S and a molecular weight of 428.89 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
PubChem CID50810841
Molecular FormulaC19H19ClF2N2O3S
Molecular Weight428.89 g/mol
Exact Mass428.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H19ClF2N2O3S/c20-17-10-16(7-8-18(17)22)23-19(25)14-2-1-9-24(11-14)28(26,27)12-13-3-5-15(21)6-4-13/h3-8,10,14H,1-2,9,11-12H2,(H,23,25)
InChIKeyXRQBCNMCTUPUDE-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642191
1-[(4-chlorophenyl)methylsulfonyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 50810945
(3S)-N-(3-chloro-4-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447116
(3S)-N-(3-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642216
(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641906
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642225
(3S)-1-[(4-fluorophenyl)methylsulfonyl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 92642100
1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 50810963
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50811103
1-benzylsulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 50808749
(3R)-N-(3,4-dichlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26687837
(3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642245

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide (CID 50810841) is N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide?
The InChIKey is XRQBCNMCTUPUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O3S/c20-17-10-16(7-8-18(17)22)23-19(25)14-2-1-9-24(11-14)28(26,27)12-13-3-5-15(21)6-4-13/h3-8,10,14H,1-2,9,11-12H2,(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide has a molecular weight of 428.89 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 50810841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).