N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide

C8H17ClN2O4S — CID 65033687

IUPACN-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCCOCCCl)N1CCOCC1
InChIInChI=1S/C8H17ClN2O4S/c9-1-5-14-6-2-10-16(12,13)11-3-7-15-8-4-11/h10H,1-8H2
InChIKeyXLLDFXIARAMBON-UHFFFAOYSA-N
MW272.75 g/mol
LogP-0.59
Rot. Bonds7

About N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide

N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide (PubChem CID 65033687) has the molecular formula C8H17ClN2O4S and a molecular weight of 272.75 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide
PubChem CID65033687
Molecular FormulaC8H17ClN2O4S
Molecular Weight272.75 g/mol
Exact Mass272.06
IUPAC NameN-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCCOCCCl)N1CCOCC1
InChIInChI=1S/C8H17ClN2O4S/c9-1-5-14-6-2-10-16(12,13)11-3-7-15-8-4-11/h10H,1-8H2
InChIKeyXLLDFXIARAMBON-UHFFFAOYSA-N
XLogP-0.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloroethoxy)ethyl]oxane-4-sulfonamide
CID 65033634
N-[2-(2-methoxyethylamino)ethyl]morpholine-4-sulfonamide;hydrochloride
CID 120717809
N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide
CID 106245433
N-(3-iodopropyl)morpholine-4-sulfonamide
CID 114504667
N-[2-(dimethylamino)ethyl]morpholine-4-sulfonamide
CID 110705984
N-[3-(ethylamino)propyl]morpholine-4-sulfonamide
CID 43606633
N-(2-naphthalen-1-yloxyethyl)morpholine-4-sulfonamide
CID 71939103
N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide
CID 43606820
N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide
CID 47141638
7-(morpholin-4-ylsulfonylamino)heptanoic acid
CID 28784453
N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide
CID 103834903
N-(2,2-diethoxyethyl)morpholine-4-sulfonamide
CID 79548082

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide (CID 65033687) is N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide is O=S(=O)(NCCOCCCl)N1CCOCC1.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide?
The InChIKey is XLLDFXIARAMBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O4S/c9-1-5-14-6-2-10-16(12,13)11-3-7-15-8-4-11/h10H,1-8H2.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide?
N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide has a molecular weight of 272.75 g/mol, XLogP of -0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide is sourced from PubChem (CID 65033687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).