N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide

C17H17Cl2NO3S — CID 4139322

IUPACN-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1cccc(Cl)c1)NCc1ccccc1Cl
InChIInChI=1S/C17H17Cl2NO3S/c18-15-6-3-4-13(10-15)12-24(22,23)9-8-17(21)20-11-14-5-1-2-7-16(14)19/h1-7,10H,8-9,11-12H2,(H,20,21)
InChIKeyPFTIPOGLBJFUAI-UHFFFAOYSA-N
MW386.30 g/mol
LogP3.61
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide

N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide (PubChem CID 4139322) has the molecular formula C17H17Cl2NO3S and a molecular weight of 386.30 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide
PubChem CID4139322
Molecular FormulaC17H17Cl2NO3S
Molecular Weight386.30 g/mol
Exact Mass385.03
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1cccc(Cl)c1)NCc1ccccc1Cl
InChIInChI=1S/C17H17Cl2NO3S/c18-15-6-3-4-13(10-15)12-24(22,23)9-8-17(21)20-11-14-5-1-2-7-16(14)19/h1-7,10H,8-9,11-12H2,(H,20,21)
InChIKeyPFTIPOGLBJFUAI-UHFFFAOYSA-N
XLogP3.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide 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

2-[(2-chloro-6-fluorobenzyl)thio]-N-(2-phenylethyl)acetamide
CID 961752
(2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide
CID 5904900
2-(benzylsulfonyl)-N-(2-chlorobenzyl)acetamide
CID 2210190
3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
CID 2265248
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 2265253
N-(2-chlorobenzyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3236552
N-[(2-Chlorophenyl)methyl]-3-{[(3-chlorophenyl)methyl]sulfanyl}propanamide
CID 4219372
3-[(3-chlorobenzyl)thio]-N-(2-phenylethyl)propanamide
CID 4219374
3-[(3-chlorobenzyl)thio]-N-(2-cyclohex-1-en-1-ylethyl)propanamide
CID 4219378
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide
CID 4786870
N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(2-chlorophenyl)methyl]sulfanyl}propanamide
CID 4987746
3-[(3-chlorobenzyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 5068934

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide (CID 4139322) is N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide is O=C(CCS(=O)(=O)Cc1cccc(Cl)c1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide?
The InChIKey is PFTIPOGLBJFUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S/c18-15-6-3-4-13(10-15)12-24(22,23)9-8-17(21)20-11-14-5-1-2-7-16(14)19/h1-7,10H,8-9,11-12H2,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide has a molecular weight of 386.30 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 4139322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).