2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide

C12H10Cl2N2O2S3 — CID 61124491

IUPAC2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide
SMILESNC(=S)C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1
InChIInChI=1S/C12H10Cl2N2O2S3/c13-9-6-8(11(14)20-9)21(17,18)16-10(12(15)19)7-4-2-1-3-5-7/h1-6,10,16H,(H2,15,19)
InChIKeyZGCSOHDHBBCBNG-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.36
Rot. Bonds5

About 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide

2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide (PubChem CID 61124491) has the molecular formula C12H10Cl2N2O2S3 and a molecular weight of 381.33 g/mol. Its IUPAC name is 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide.

Molecular Properties

Compound Name2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide
PubChem CID61124491
Molecular FormulaC12H10Cl2N2O2S3
Molecular Weight381.33 g/mol
Exact Mass379.93
IUPAC Name2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide
SMILESNC(=S)C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1
InChIInChI=1S/C12H10Cl2N2O2S3/c13-9-6-8(11(14)20-9)21(17,18)16-10(12(15)19)7-4-2-1-3-5-7/h1-6,10,16H,(H2,15,19)
InChIKeyZGCSOHDHBBCBNG-UHFFFAOYSA-N
XLogP3.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide
CID 55365000
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide
CID 43344174
2-[(3-bromophenyl)sulfonylamino]-2-phenylethanethioamide
CID 61124489
2-[(3-methylphenyl)sulfonylamino]-2-phenylethanethioamide
CID 61123888
2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide
CID 61454526
2-(ethylsulfonylamino)-2-phenylethanethioamide
CID 61121905
N-benzyl-2,5-dichlorothiophene-3-sulfonamide
CID 39791947
methyl 3-benzylsulfanyl-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]propanoate
CID 3678182
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43090882
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 4969477
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide
CID 55101688
(2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 61137324

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide?
The IUPAC name of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide (CID 61124491) is 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide.
What is the SMILES notation for 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide?
The canonical SMILES for 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide is NC(=S)C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1.
What is the InChIKey of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide?
The InChIKey is ZGCSOHDHBBCBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S3/c13-9-6-8(11(14)20-9)21(17,18)16-10(12(15)19)7-4-2-1-3-5-7/h1-6,10,16H,(H2,15,19).
What are the key properties of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide?
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide has a molecular weight of 381.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2-phenylethanethioamide is sourced from PubChem (CID 61124491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).