2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide

C10H15N3O4S3 — CID 79185181

IUPAC2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide
SMILESNC(=S)Cc1ccc(S(=O)(=O)NCCS(N)(=O)=O)cc1
InChIInChI=1S/C10H15N3O4S3/c11-10(18)7-8-1-3-9(4-2-8)20(16,17)13-5-6-19(12,14)15/h1-4,13H,5-7H2,(H2,11,18)(H2,12,14,15)
InChIKeyMPDJUIPSVNYLED-UHFFFAOYSA-N
MW337.45 g/mol
LogP-0.92
Rot. Bonds7

About 2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide

2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide (PubChem CID 79185181) has the molecular formula C10H15N3O4S3 and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide
PubChem CID79185181
Molecular FormulaC10H15N3O4S3
Molecular Weight337.45 g/mol
Exact Mass337.02
IUPAC Name2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide
SMILESNC(=S)Cc1ccc(S(=O)(=O)NCCS(N)(=O)=O)cc1
InChIInChI=1S/C10H15N3O4S3/c11-10(18)7-8-1-3-9(4-2-8)20(16,17)13-5-6-19(12,14)15/h1-4,13H,5-7H2,(H2,11,18)(H2,12,14,15)
InChIKeyMPDJUIPSVNYLED-UHFFFAOYSA-N
XLogP-0.92
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methylsulfonylethylsulfamoyl)phenyl]ethanethioamide
CID 79185811
3-[[4-(2-amino-2-sulfanylideneethyl)phenyl]sulfonylamino]propanamide
CID 79184838
2-[4-(benzylsulfamoyl)phenyl]ethanethioamide
CID 79185403
2-[4-(2-methylbutylsulfamoyl)phenyl]ethanethioamide
CID 79196538
2-[4-(cyclobutylmethylsulfamoyl)phenyl]ethanethioamide
CID 79184823
2-[4-[(4-iodophenyl)sulfamoyl]phenyl]ethanethioamide
CID 79185293
3-(2-sulfamoylethylsulfamoyl)benzenecarbothioamide
CID 43552526
2-(4-methylsulfonylphenyl)ethanethioamide
CID 83969581
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide
CID 62306143
2-[4-(pyrimidin-5-ylsulfamoyl)phenyl]ethanethioamide
CID 107588798
2-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]ethanethioamide
CID 113485518
2-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]phenyl]ethanethioamide
CID 79203528

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide?
The IUPAC name of 2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide (CID 79185181) is 2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide?
The canonical SMILES for 2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide is NC(=S)Cc1ccc(S(=O)(=O)NCCS(N)(=O)=O)cc1.
What is the InChIKey of 2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide?
The InChIKey is MPDJUIPSVNYLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S3/c11-10(18)7-8-1-3-9(4-2-8)20(16,17)13-5-6-19(12,14)15/h1-4,13H,5-7H2,(H2,11,18)(H2,12,14,15).
What are the key properties of 2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide?
2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide has a molecular weight of 337.45 g/mol, XLogP of -0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-sulfamoylethylsulfamoyl)phenyl]ethanethioamide is sourced from PubChem (CID 79185181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).