N-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

C22H26ClFN2O3S — CID 26198625

IUPACN-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H26ClFN2O3S/c1-3-15-8-10-18(23)17(4-2)21(15)25-22(27)16-9-11-19(24)20(14-16)30(28,29)26-12-6-5-7-13-26/h8-11,14H,3-7,12-13H2,1-2H3,(H,25,27)
InChIKeyBZWWGXCXPRDYBV-UHFFFAOYSA-N
MW452.98 g/mol
LogP5.03
Rot. Bonds6

About N-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

N-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 26198625) has the molecular formula C22H26ClFN2O3S and a molecular weight of 452.98 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
PubChem CID26198625
Molecular FormulaC22H26ClFN2O3S
Molecular Weight452.98 g/mol
Exact Mass452.13
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H26ClFN2O3S/c1-3-15-8-10-18(23)17(4-2)21(15)25-22(27)16-9-11-19(24)20(14-16)30(28,29)26-12-6-5-7-13-26/h8-11,14H,3-7,12-13H2,1-2H3,(H,25,27)
InChIKeyBZWWGXCXPRDYBV-UHFFFAOYSA-N
XLogP5.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.98
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide 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-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55896344
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27906900
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55669763
N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26533312
N-(3-chloro-4-methoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26735927
N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665163
4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42955661
4-fluoro-N-[(2R)-pentan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37031936

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (CID 26198625) is N-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is BZWWGXCXPRDYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O3S/c1-3-15-8-10-18(23)17(4-2)21(15)25-22(27)16-9-11-19(24)20(14-16)30(28,29)26-12-6-5-7-13-26/h8-11,14H,3-7,12-13H2,1-2H3,(H,25,27).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
N-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 452.98 g/mol, XLogP of 5.03, 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)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26198625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).