1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide

C12H14Cl2N2O2S2 — CID 61124259

IUPAC1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)c2cc(Cl)ccc2Cl)CCCC1
InChIInChI=1S/C12H14Cl2N2O2S2/c13-8-3-4-9(14)10(7-8)20(17,18)16-12(11(15)19)5-1-2-6-12/h3-4,7,16H,1-2,5-6H2,(H2,15,19)
InChIKeyTYBPJNRAGUOTIV-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.87
Rot. Bonds4

About 1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide

1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide (PubChem CID 61124259) has the molecular formula C12H14Cl2N2O2S2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
PubChem CID61124259
Molecular FormulaC12H14Cl2N2O2S2
Molecular Weight353.30 g/mol
Exact Mass351.99
IUPAC Name1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)c2cc(Cl)ccc2Cl)CCCC1
InChIInChI=1S/C12H14Cl2N2O2S2/c13-8-3-4-9(14)10(7-8)20(17,18)16-12(11(15)19)5-1-2-6-12/h3-4,7,16H,1-2,5-6H2,(H2,15,19)
InChIKeyTYBPJNRAGUOTIV-UHFFFAOYSA-N
XLogP2.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide?
The IUPAC name of 1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide (CID 61124259) is 1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide?
The canonical SMILES for 1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide is NC(=S)C1(NS(=O)(=O)c2cc(Cl)ccc2Cl)CCCC1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide?
The InChIKey is TYBPJNRAGUOTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2S2/c13-8-3-4-9(14)10(7-8)20(17,18)16-12(11(15)19)5-1-2-6-12/h3-4,7,16H,1-2,5-6H2,(H2,15,19).
What are the key properties of 1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide?
1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide has a molecular weight of 353.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide is sourced from PubChem (CID 61124259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).