2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide

C8H8Cl2N2O2S2 — CID 61127500

IUPAC2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide
SMILESNC(=S)CNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H8Cl2N2O2S2/c9-5-1-2-6(10)7(3-5)16(13,14)12-4-8(11)15/h1-3,12H,4H2,(H2,11,15)
InChIKeyHUVXHFMPDDSLNJ-UHFFFAOYSA-N
MW299.20 g/mol
LogP1.56
Rot. Bonds4

About 2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide

2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide (PubChem CID 61127500) has the molecular formula C8H8Cl2N2O2S2 and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide
PubChem CID61127500
Molecular FormulaC8H8Cl2N2O2S2
Molecular Weight299.20 g/mol
Exact Mass297.94
IUPAC Name2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide
SMILESNC(=S)CNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H8Cl2N2O2S2/c9-5-1-2-6(10)7(3-5)16(13,14)12-4-8(11)15/h1-3,12H,4H2,(H2,11,15)
InChIKeyHUVXHFMPDDSLNJ-UHFFFAOYSA-N
XLogP1.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide
CID 62668104
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxyethyl)acetamide
CID 126178977
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
2-[(2,5-dichlorophenyl)sulfonylamino]oxyacetamide
CID 112673471
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
(2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate
CID 1218599
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538
2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide
CID 66170118
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033412
1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 61124259
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1055767

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide (CID 61127500) is 2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide is NC(=S)CNS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide?
The InChIKey is HUVXHFMPDDSLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2S2/c9-5-1-2-6(10)7(3-5)16(13,14)12-4-8(11)15/h1-3,12H,4H2,(H2,11,15).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide?
2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide has a molecular weight of 299.20 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide is sourced from PubChem (CID 61127500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).