N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide

C11H22ClNO3S — CID 63396597

IUPACN-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C11H22ClNO3S/c1-2-16-9-10-17(14,15)13(8-7-12)11-5-3-4-6-11/h11H,2-10H2,1H3
InChIKeyKXVITBBSSZMWRQ-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.84
Rot. Bonds8

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

N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide (PubChem CID 63396597) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide
PubChem CID63396597
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C11H22ClNO3S/c1-2-16-9-10-17(14,15)13(8-7-12)11-5-3-4-6-11/h11H,2-10H2,1H3
InChIKeyKXVITBBSSZMWRQ-UHFFFAOYSA-N
XLogP1.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide (CID 63396597) is N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide?
The InChIKey is KXVITBBSSZMWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO3S/c1-2-16-9-10-17(14,15)13(8-7-12)11-5-3-4-6-11/h11H,2-10H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide?
N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide has a molecular weight of 283.82 g/mol, XLogP of 1.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide is sourced from PubChem (CID 63396597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).