N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C22H26ClFN2O3S — CID 26198432

IUPACN-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26ClFN2O3S/c1-3-15-5-10-20(23)19(4-2)21(15)25-22(27)16-11-13-26(14-12-16)30(28,29)18-8-6-17(24)7-9-18/h5-10,16H,3-4,11-14H2,1-2H3,(H,25,27)
InChIKeyOZVXUSABBBJUHS-UHFFFAOYSA-N
MW452.98 g/mol
LogP4.64
Rot. Bonds6

About N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26198432) has the molecular formula C22H26ClFN2O3S and a molecular weight of 452.98 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26198432
Molecular FormulaC22H26ClFN2O3S
Molecular Weight452.98 g/mol
Exact Mass452.13
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26ClFN2O3S/c1-3-15-5-10-20(23)19(4-2)21(15)25-22(27)16-11-13-26(14-12-16)30(28,29)18-8-6-17(24)7-9-18/h5-10,16H,3-4,11-14H2,1-2H3,(H,25,27)
InChIKeyOZVXUSABBBJUHS-UHFFFAOYSA-N
XLogP4.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.98
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100795631
1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide
CID 55770352
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
N-(3-chloro-2,6-diethylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30748113
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
N-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55796487
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 7718644
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327118
1-(4-fluorophenyl)sulfonyl-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 1455647
N-(2-ethyl-6-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 40633565
N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 8025714
1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 26198432) is N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is CCc1ccc(Cl)c(CC)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is OZVXUSABBBJUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O3S/c1-3-15-5-10-20(23)19(4-2)21(15)25-22(27)16-11-13-26(14-12-16)30(28,29)18-8-6-17(24)7-9-18/h5-10,16H,3-4,11-14H2,1-2H3,(H,25,27).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 452.98 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26198432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).