3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide

C16H16Cl2N2O3S2 — CID 34502642

IUPAC3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCSCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S2/c17-14-2-1-3-15(18)13(14)10-24-9-8-16(21)20-11-4-6-12(7-5-11)25(19,22)23/h1-7H,8-10H2,(H,20,21)(H2,19,22,23)
InChIKeyZEQMEWGPPZTWSK-UHFFFAOYSA-N
MW419.36 g/mol
LogP3.90
Rot. Bonds7

About 3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide

3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 34502642) has the molecular formula C16H16Cl2N2O3S2 and a molecular weight of 419.36 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide
PubChem CID34502642
Molecular FormulaC16H16Cl2N2O3S2
Molecular Weight419.36 g/mol
Exact Mass418.00
IUPAC Name3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCSCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S2/c17-14-2-1-3-15(18)13(14)10-24-9-8-16(21)20-11-4-6-12(7-5-11)25(19,22)23/h1-7H,8-10H2,(H,20,21)(H2,19,22,23)
InChIKeyZEQMEWGPPZTWSK-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25038576
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126186044
4-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 7309260
4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 12954886
3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 147765273
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 9314399
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25044457
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 126180265
S-[(2,6-dichlorophenyl)methyl] 3-[(2,6-dichlorophenyl)methylsulfanyl]propanethioate
CID 12816884

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide (CID 34502642) is 3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)CCSCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is ZEQMEWGPPZTWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S2/c17-14-2-1-3-15(18)13(14)10-24-9-8-16(21)20-11-4-6-12(7-5-11)25(19,22)23/h1-7H,8-10H2,(H,20,21)(H2,19,22,23).
What are the key properties of 3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide?
3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 419.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 34502642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).