2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide

C19H22Cl2N2O4S — CID 4202606

IUPAC2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22Cl2N2O4S/c1-27-11-5-10-22-19(24)14-23(13-15-8-9-17(20)18(21)12-15)28(25,26)16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,22,24)
InChIKeyWNOXKSGXLCSZSF-UHFFFAOYSA-N
MW445.37 g/mol
LogP3.34
Rot. Bonds10

About 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide

2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide (PubChem CID 4202606) has the molecular formula C19H22Cl2N2O4S and a molecular weight of 445.37 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
PubChem CID4202606
Molecular FormulaC19H22Cl2N2O4S
Molecular Weight445.37 g/mol
Exact Mass444.07
IUPAC Name2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22Cl2N2O4S/c1-27-11-5-10-22-19(24)14-23(13-15-8-9-17(20)18(21)12-15)28(25,26)16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,22,24)
InChIKeyWNOXKSGXLCSZSF-UHFFFAOYSA-N
XLogP3.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide 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-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-ethoxypropyl)acetamide
CID 126392672
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 126085750
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 1341129
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 126209307
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide
CID 126063097
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)acetamide
CID 21380398
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 126010033
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 126011388
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 126010729
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 5037608
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-cycloheptylacetamide
CID 126026477
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135644179

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide (CID 4202606) is 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is WNOXKSGXLCSZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S/c1-27-11-5-10-22-19(24)14-23(13-15-8-9-17(20)18(21)12-15)28(25,26)16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,22,24).
What are the key properties of 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide?
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 445.37 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 4202606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).