N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide

C19H21FN2O3S — CID 138992828

IUPACN-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-14-10-12-22(13-11-14)19(23)21-16-4-8-18(9-5-16)26(24,25)17-6-2-15(20)3-7-17/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyUWXCTKBHUPLUFP-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.92
Rot. Bonds3

About N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide

N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide (PubChem CID 138992828) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide
PubChem CID138992828
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-14-10-12-22(13-11-14)19(23)21-16-4-8-18(9-5-16)26(24,25)17-6-2-15(20)3-7-17/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyUWXCTKBHUPLUFP-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-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

4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90589838
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187
4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 55647465
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 46366168
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 107793053

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide (CID 138992828) is N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is UWXCTKBHUPLUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-10-12-22(13-11-14)19(23)21-16-4-8-18(9-5-16)26(24,25)17-6-2-15(20)3-7-17/h2-9,14H,10-13H2,1H3,(H,21,23).
What are the key properties of N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide?
N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 138992828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).