1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide

C20H22ClFN2O3S — CID 123595033

IUPAC1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)cc1
InChIInChI=1S/C20H22ClFN2O3S/c1-2-14-3-6-17(7-4-14)23-20(25)15-9-11-24(12-10-15)28(26,27)19-8-5-16(22)13-18(19)21/h3-8,13,15H,2,9-12H2,1H3,(H,23,25)
InChIKeyALEGWTRYFPYDHJ-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.08
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide

1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide (PubChem CID 123595033) has the molecular formula C20H22ClFN2O3S and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
PubChem CID123595033
Molecular FormulaC20H22ClFN2O3S
Molecular Weight424.93 g/mol
Exact Mass424.10
IUPAC Name1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)cc1
InChIInChI=1S/C20H22ClFN2O3S/c1-2-14-3-6-17(7-4-14)23-20(25)15-9-11-24(12-10-15)28(26,27)19-8-5-16(22)13-18(19)21/h3-8,13,15H,2,9-12H2,1H3,(H,23,25)
InChIKeyALEGWTRYFPYDHJ-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 46288744
1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide
CID 55521485
1-(dimethylsulfamoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 41454669
N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 8025714
(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 126397151
1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 9078108
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
ethyl 5-[4-[(4-ethylphenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55650662
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
1-(2,5-dimethoxyphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 2982195
N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26692819

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide (CID 123595033) is 1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide is CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)cc1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide?
The InChIKey is ALEGWTRYFPYDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3S/c1-2-14-3-6-17(7-4-14)23-20(25)15-9-11-24(12-10-15)28(26,27)19-8-5-16(22)13-18(19)21/h3-8,13,15H,2,9-12H2,1H3,(H,23,25).
What are the key properties of 1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide?
1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 123595033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).