2,5-dichloro-N-methylcyclopentane-1-sulfonamide

C6H11Cl2NO2S — CID 122674432

IUPAC2,5-dichloro-N-methylcyclopentane-1-sulfonamide
SMILESCNS(=O)(=O)C1C(Cl)CCC1Cl
InChIInChI=1S/C6H11Cl2NO2S/c1-9-12(10,11)6-4(7)2-3-5(6)8/h4-6,9H,2-3H2,1H3
InChIKeyPDTUUOUDLBWUBK-UHFFFAOYSA-N
MW232.13 g/mol
LogP0.91
Rot. Bonds2

About 2,5-dichloro-N-methylcyclopentane-1-sulfonamide

2,5-dichloro-N-methylcyclopentane-1-sulfonamide (PubChem CID 122674432) has the molecular formula C6H11Cl2NO2S and a molecular weight of 232.13 g/mol. Its IUPAC name is 2,5-dichloro-N-methylcyclopentane-1-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-methylcyclopentane-1-sulfonamide
PubChem CID122674432
Molecular FormulaC6H11Cl2NO2S
Molecular Weight232.13 g/mol
Exact Mass230.99
IUPAC Name2,5-dichloro-N-methylcyclopentane-1-sulfonamide
SMILESCNS(=O)(=O)C1C(Cl)CCC1Cl
InChIInChI=1S/C6H11Cl2NO2S/c1-9-12(10,11)6-4(7)2-3-5(6)8/h4-6,9H,2-3H2,1H3
InChIKeyPDTUUOUDLBWUBK-UHFFFAOYSA-N
XLogP0.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.13
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methylcyclopentane-1-sulfonamide?
The IUPAC name of 2,5-dichloro-N-methylcyclopentane-1-sulfonamide (CID 122674432) is 2,5-dichloro-N-methylcyclopentane-1-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-methylcyclopentane-1-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-methylcyclopentane-1-sulfonamide is CNS(=O)(=O)C1C(Cl)CCC1Cl.
What is the InChIKey of 2,5-dichloro-N-methylcyclopentane-1-sulfonamide?
The InChIKey is PDTUUOUDLBWUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NO2S/c1-9-12(10,11)6-4(7)2-3-5(6)8/h4-6,9H,2-3H2,1H3.
What are the key properties of 2,5-dichloro-N-methylcyclopentane-1-sulfonamide?
2,5-dichloro-N-methylcyclopentane-1-sulfonamide has a molecular weight of 232.13 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-methylcyclopentane-1-sulfonamide is sourced from PubChem (CID 122674432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).