N-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide

C10H20ClNO4S2 — CID 63396558

IUPACN-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C10H20ClNO4S2/c1-17(13,14)8-9-18(15,16)12(7-6-11)10-4-2-3-5-10/h10H,2-9H2,1H3
InChIKeyHWTPNLVKJBKQJR-UHFFFAOYSA-N
MW317.86 g/mol
LogP0.84
Rot. Bonds7

About N-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide

N-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide (PubChem CID 63396558) has the molecular formula C10H20ClNO4S2 and a molecular weight of 317.86 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
PubChem CID63396558
Molecular FormulaC10H20ClNO4S2
Molecular Weight317.86 g/mol
Exact Mass317.05
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C10H20ClNO4S2/c1-17(13,14)8-9-18(15,16)12(7-6-11)10-4-2-3-5-10/h10H,2-9H2,1H3
InChIKeyHWTPNLVKJBKQJR-UHFFFAOYSA-N
XLogP0.84
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-cyclopentyl-N-ethylpropane-1-sulfonamide
CID 43654396
3-chloro-N-cyclopentyl-N-methylpropane-1-sulfonamide
CID 43654529
N-butyl-3-chloro-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
CID 54877490
N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide
CID 55188208
N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclopentanamine
CID 63388997
N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine
CID 63389277
N-(3-chloropropyl)-2-methylsulfonyl-N-propan-2-ylethanesulfonamide
CID 63396419
N-(2-chloroethyl)-N-cyclopentylmethanesulfonamide
CID 63396426
N-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide
CID 63396472
N-(2-chloroethyl)-N-cyclopentylpropane-1-sulfonamide
CID 63396510
N-(2-chloroethyl)-N-cyclopentylbutane-1-sulfonamide
CID 63396512
N-(2-chloroethyl)-N-cyclopentylethanesulfonamide
CID 63396513

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide (CID 63396558) is N-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide?
The InChIKey is HWTPNLVKJBKQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO4S2/c1-17(13,14)8-9-18(15,16)12(7-6-11)10-4-2-3-5-10/h10H,2-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide?
N-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide has a molecular weight of 317.86 g/mol, XLogP of 0.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 63396558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).