N-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide

C9H18ClNO4S2 — CID 65030725

IUPACN-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC1(CCl)CCCC1
InChIInChI=1S/C9H18ClNO4S2/c1-16(12,13)6-7-17(14,15)11-9(8-10)4-2-3-5-9/h11H,2-8H2,1H3
InChIKeyNOZZXBLBHNILHW-UHFFFAOYSA-N
MW303.83 g/mol
LogP0.50
Rot. Bonds6

About N-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide

N-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide (PubChem CID 65030725) has the molecular formula C9H18ClNO4S2 and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide
PubChem CID65030725
Molecular FormulaC9H18ClNO4S2
Molecular Weight303.83 g/mol
Exact Mass303.04
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC1(CCl)CCCC1
InChIInChI=1S/C9H18ClNO4S2/c1-16(12,13)6-7-17(14,15)11-9(8-10)4-2-3-5-9/h11H,2-8H2,1H3
InChIKeyNOZZXBLBHNILHW-UHFFFAOYSA-N
XLogP0.50
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide (CID 65030725) is N-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NC1(CCl)CCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide?
The InChIKey is NOZZXBLBHNILHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO4S2/c1-16(12,13)6-7-17(14,15)11-9(8-10)4-2-3-5-9/h11H,2-8H2,1H3.
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide?
N-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide has a molecular weight of 303.83 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 65030725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).