N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide

C20H20ClFN2O3S — CID 156601952

IUPACN-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide
SMILESO=C(Cc1c(F)cccc1Cl)N1CC2CC(NS(=O)(=O)c3ccccc3)C1C2
InChIInChI=1S/C20H20ClFN2O3S/c21-16-7-4-8-17(22)15(16)11-20(25)24-12-13-9-18(19(24)10-13)23-28(26,27)14-5-2-1-3-6-14/h1-8,13,18-19,23H,9-12H2
InChIKeyHILNPPZXWUQYQY-UHFFFAOYSA-N
MW422.91 g/mol
LogP2.99
Rot. Bonds5

About N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide

N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide (PubChem CID 156601952) has the molecular formula C20H20ClFN2O3S and a molecular weight of 422.91 g/mol. Its IUPAC name is N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide
PubChem CID156601952
Molecular FormulaC20H20ClFN2O3S
Molecular Weight422.91 g/mol
Exact Mass422.09
IUPAC NameN-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide
SMILESO=C(Cc1c(F)cccc1Cl)N1CC2CC(NS(=O)(=O)c3ccccc3)C1C2
InChIInChI=1S/C20H20ClFN2O3S/c21-16-7-4-8-17(22)15(16)11-20(25)24-12-13-9-18(19(24)10-13)23-28(26,27)14-5-2-1-3-6-14/h1-8,13,18-19,23H,9-12H2
InChIKeyHILNPPZXWUQYQY-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide 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-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 3684814
N-(((S)-1-((R)-3-amino-4-(3-chlorophenyl)butanoyl)pyrrolidin-2-yl)methyl)benzenesulfonamide
CID 45268233
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-2,5-dichlorobenzenesulfonamide
CID 45269122
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-4-chlorobenzenesulfonamide
CID 45270800
1-(4-Fluoro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide
CID 24747004
1-[4-(Benzenesulfonyl)piperazin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 25162686
1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 45489069
1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 45489216
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16274013
2-(2-Chloro-6-fluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 7958555
2-(2-Chloro-6-fluorophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 24981203
2-(2-Chloro-6-fluorophenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 7921205

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide?
The IUPAC name of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide (CID 156601952) is N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide is O=C(Cc1c(F)cccc1Cl)N1CC2CC(NS(=O)(=O)c3ccccc3)C1C2.
What is the InChIKey of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide?
The InChIKey is HILNPPZXWUQYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O3S/c21-16-7-4-8-17(22)15(16)11-20(25)24-12-13-9-18(19(24)10-13)23-28(26,27)14-5-2-1-3-6-14/h1-8,13,18-19,23H,9-12H2.
What are the key properties of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide?
N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide has a molecular weight of 422.91 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide is sourced from PubChem (CID 156601952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).