N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

C18H18ClFN2O3S2 — CID 156602259

IUPACN-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
SMILESO=C(Cc1c(F)cccc1Cl)N1CC2CC1CC2NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H18ClFN2O3S2/c19-14-3-1-4-15(20)13(14)9-17(23)22-10-11-7-12(22)8-16(11)21-27(24,25)18-5-2-6-26-18/h1-6,11-12,16,21H,7-10H2
InChIKeyHTWMLGWURWXAKA-UHFFFAOYSA-N
MW428.94 g/mol
LogP3.05
Rot. Bonds5

About N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide (PubChem CID 156602259) has the molecular formula C18H18ClFN2O3S2 and a molecular weight of 428.94 g/mol. Its IUPAC name is N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
PubChem CID156602259
Molecular FormulaC18H18ClFN2O3S2
Molecular Weight428.94 g/mol
Exact Mass428.04
IUPAC NameN-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
SMILESO=C(Cc1c(F)cccc1Cl)N1CC2CC1CC2NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H18ClFN2O3S2/c19-14-3-1-4-15(20)13(14)9-17(23)22-10-11-7-12(22)8-16(11)21-27(24,25)18-5-2-6-26-18/h1-6,11-12,16,21H,7-10H2
InChIKeyHTWMLGWURWXAKA-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide 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-(2-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9551080
2-(2-Chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 2551192
N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
CID 156602163
N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 156602237
CID 156602272
CID 156602272
N-[2-(p-chlorophenyl)ethyl][(R)-1-(2-thienylsulfonyl)-2-piperidyl]acetamide
CID 26562537
N-(2-chlorobenzyl)-2-(1-(thiophen-2-ylsulfonyl)piperidin-2-yl)acetamide
CID 44015573
N-[2-(5-chlorothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
CID 156602180
N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
CID 156602261
N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
CID 156602275
N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
CID 156602290
N-[2-(3-chloro-4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 156602311

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide (CID 156602259) is N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide is O=C(Cc1c(F)cccc1Cl)N1CC2CC1CC2NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
The InChIKey is HTWMLGWURWXAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3S2/c19-14-3-1-4-15(20)13(14)9-17(23)22-10-11-7-12(22)8-16(11)21-27(24,25)18-5-2-6-26-18/h1-6,11-12,16,21H,7-10H2.
What are the key properties of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide has a molecular weight of 428.94 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 156602259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).