2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide

C12H14Cl2N2O2S2 — CID 62957301

IUPAC2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2S2/c13-9-5-4-7(6-10(9)14)20(17,18)16-11-3-1-2-8(11)12(15)19/h4-6,8,11,16H,1-3H2,(H2,15,19)
InChIKeyVTKRRDOGFPSVOA-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.73
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide

2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide (PubChem CID 62957301) has the molecular formula C12H14Cl2N2O2S2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
PubChem CID62957301
Molecular FormulaC12H14Cl2N2O2S2
Molecular Weight353.30 g/mol
Exact Mass351.99
IUPAC Name2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2S2/c13-9-5-4-7(6-10(9)14)20(17,18)16-11-3-1-2-8(11)12(15)19/h4-6,8,11,16H,1-3H2,(H2,15,19)
InChIKeyVTKRRDOGFPSVOA-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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

N-(2-aminocyclopentyl)-3,4-dichlorobenzenesulfonamide
CID 63252169
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957295
3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide
CID 65030631
2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957127
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 107327667
3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide
CID 106606229
3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 106546192
3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277688
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
4-bromo-3-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 134367119
2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide
CID 64553686

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide (CID 62957301) is 2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide is NC(=S)C1CCCC1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide?
The InChIKey is VTKRRDOGFPSVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2S2/c13-9-5-4-7(6-10(9)14)20(17,18)16-11-3-1-2-8(11)12(15)19/h4-6,8,11,16H,1-3H2,(H2,15,19).
What are the key properties of 2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide?
2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide has a molecular weight of 353.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide is sourced from PubChem (CID 62957301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).