N-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide

C17H19Cl2N3O4S — CID 44622834

IUPACN-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide
SMILESCS(=O)(=O)Nc1ccc(OCC(=O)NCCNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H19Cl2N3O4S/c1-27(24,25)22-12-2-5-14(6-3-12)26-11-17(23)21-9-8-20-13-4-7-15(18)16(19)10-13/h2-7,10,20,22H,8-9,11H2,1H3,(H,21,23)
InChIKeyRASKYMQICXHQMH-UHFFFAOYSA-N
MW432.33 g/mol
LogP2.97
Rot. Bonds9

About N-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide

N-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide (PubChem CID 44622834) has the molecular formula C17H19Cl2N3O4S and a molecular weight of 432.33 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide
PubChem CID44622834
Molecular FormulaC17H19Cl2N3O4S
Molecular Weight432.33 g/mol
Exact Mass431.05
IUPAC NameN-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide
SMILESCS(=O)(=O)Nc1ccc(OCC(=O)NCCNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H19Cl2N3O4S/c1-27(24,25)22-12-2-5-14(6-3-12)26-11-17(23)21-9-8-20-13-4-7-15(18)16(19)10-13/h2-7,10,20,22H,8-9,11H2,1H3,(H,21,23)
InChIKeyRASKYMQICXHQMH-UHFFFAOYSA-N
XLogP2.97
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.33
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide (CID 44622834) is N-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide is CS(=O)(=O)Nc1ccc(OCC(=O)NCCNc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide?
The InChIKey is RASKYMQICXHQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O4S/c1-27(24,25)22-12-2-5-14(6-3-12)26-11-17(23)21-9-8-20-13-4-7-15(18)16(19)10-13/h2-7,10,20,22H,8-9,11H2,1H3,(H,21,23).
What are the key properties of N-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide?
N-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide has a molecular weight of 432.33 g/mol, XLogP of 2.97, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide is sourced from PubChem (CID 44622834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).