N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C19H20ClFN2O3S — CID 1327118

IUPACN-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClFN2O3S/c1-13-2-3-15(20)12-18(13)22-19(24)14-8-10-23(11-9-14)27(25,26)17-6-4-16(21)5-7-17/h2-7,12,14H,8-11H2,1H3,(H,22,24)
InChIKeyPULVLXGTYBPJMQ-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.83
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1327118) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1327118
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC NameN-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClFN2O3S/c1-13-2-3-15(20)12-18(13)22-19(24)14-8-10-23(11-9-14)27(25,26)17-6-4-16(21)5-7-17/h2-7,12,14H,8-11H2,1H3,(H,22,24)
InChIKeyPULVLXGTYBPJMQ-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-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

1-(4-chlorophenyl)sulfonyl-N-(5-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 2683625
(3S)-N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9272798
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26521726
N-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26410598
1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489
N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24635780
1-(4-chlorophenyl)sulfonyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 100798905
N-(5-chloro-2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30843616
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
N-(2,5-dichlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 4018187
N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55336973
N-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide
CID 19687985

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 1327118) is N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is PULVLXGTYBPJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c1-13-2-3-15(20)12-18(13)22-19(24)14-8-10-23(11-9-14)27(25,26)17-6-4-16(21)5-7-17/h2-7,12,14H,8-11H2,1H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 410.90 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1327118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).