2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C16H16Cl2N2O3S2 — CID 2350186

IUPAC2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S2/c17-12-3-6-15(14(18)9-12)24-10-16(21)20-8-7-11-1-4-13(5-2-11)25(19,22)23/h1-6,9H,7-8,10H2,(H,20,21)(H2,19,22,23)
InChIKeyVUGKKQRDAWCRIZ-UHFFFAOYSA-N
MW419.36 g/mol
LogP3.09
Rot. Bonds7

About 2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 2350186) has the molecular formula C16H16Cl2N2O3S2 and a molecular weight of 419.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID2350186
Molecular FormulaC16H16Cl2N2O3S2
Molecular Weight419.36 g/mol
Exact Mass418.00
IUPAC Name2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S2/c17-12-3-6-15(14(18)9-12)24-10-16(21)20-8-7-11-1-4-13(5-2-11)25(19,22)23/h1-6,9H,7-8,10H2,(H,20,21)(H2,19,22,23)
InChIKeyVUGKKQRDAWCRIZ-UHFFFAOYSA-N
XLogP3.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 2350186) is 2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is VUGKKQRDAWCRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S2/c17-12-3-6-15(14(18)9-12)24-10-16(21)20-8-7-11-1-4-13(5-2-11)25(19,22)23/h1-6,9H,7-8,10H2,(H,20,21)(H2,19,22,23).
What are the key properties of 2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 419.36 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 2350186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).