N-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide

C8H18ClNO3S — CID 63397008

IUPACN-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CC)CCCl
InChIInChI=1S/C8H18ClNO3S/c1-3-10(6-5-9)14(11,12)8-7-13-4-2/h3-8H2,1-2H3
InChIKeyBMLJPMCLXIRAMM-UHFFFAOYSA-N
MW243.76 g/mol
LogP0.91
Rot. Bonds8

About N-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide

N-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide (PubChem CID 63397008) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide
PubChem CID63397008
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC NameN-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CC)CCCl
InChIInChI=1S/C8H18ClNO3S/c1-3-10(6-5-9)14(11,12)8-7-13-4-2/h3-8H2,1-2H3
InChIKeyBMLJPMCLXIRAMM-UHFFFAOYSA-N
XLogP0.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 50.91
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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Related Compounds

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-methoxypropane-1-sulfonamide
CID 107492834
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide
CID 107492855
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide
CID 107492880
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxyethanesulfonamide
CID 107492894
N-(2-chloroethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 107493030
N-(2-chloroethyl)-2-ethoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493051
N-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493077
N-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493088
N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide
CID 55186706
2-chloro-N,N-bis(2-methoxyethyl)ethanesulfonamide
CID 60722883
3-chloro-N-ethyl-N-(2-methoxyethyl)propane-1-sulfonamide
CID 61447709
2-ethoxy-N,N-diethylethanesulfonamide
CID 62733496

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide (CID 63397008) is N-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide is CCOCCS(=O)(=O)N(CC)CCCl.
What is the InChIKey of N-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide?
The InChIKey is BMLJPMCLXIRAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO3S/c1-3-10(6-5-9)14(11,12)8-7-13-4-2/h3-8H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide?
N-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide has a molecular weight of 243.76 g/mol, XLogP of 0.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide is sourced from PubChem (CID 63397008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).