N-(2-chloroethyl)-N-ethylmethanesulfonamide

C5H12ClNO2S — CID 63397656

IUPACN-(2-chloroethyl)-N-ethylmethanesulfonamide
SMILESCCN(CCCl)S(C)(=O)=O
InChIInChI=1S/C5H12ClNO2S/c1-3-7(5-4-6)10(2,8)9/h3-5H2,1-2H3
InChIKeyJNMGXFWEDAAXSJ-UHFFFAOYSA-N
MW185.68 g/mol
LogP0.51
Rot. Bonds4

About N-(2-chloroethyl)-N-ethylmethanesulfonamide

N-(2-chloroethyl)-N-ethylmethanesulfonamide (PubChem CID 63397656) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethylmethanesulfonamide
PubChem CID63397656
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC NameN-(2-chloroethyl)-N-ethylmethanesulfonamide
SMILESCCN(CCCl)S(C)(=O)=O
InChIInChI=1S/C5H12ClNO2S/c1-3-7(5-4-6)10(2,8)9/h3-5H2,1-2H3
InChIKeyJNMGXFWEDAAXSJ-UHFFFAOYSA-N
XLogP0.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine
CID 63396851
N-ethyl-N-tetradecylmethanesulfonamide
CID 91715481
3-[ethyl(methylsulfonyl)amino]propanoic acid
CID 39239435
N-ethyl-N-(4-iodobutyl)methanesulfonamide
CID 89182748
N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine
CID 107493022
N,N-diethylmethanesulfonamide;ethanesulfonamide
CID 158705788
N-ethyl-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 118241668
methyl N-[2-chloroethyl(ethyl)sulfamoyl]carbamate
CID 114466223
N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine
CID 102873648
N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide
CID 63397143
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493058
N-ethyl-N-(2-ethylbutyl)methanesulfonamide
CID 60764490

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethylmethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-ethylmethanesulfonamide (CID 63397656) is N-(2-chloroethyl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-ethylmethanesulfonamide is CCN(CCCl)S(C)(=O)=O.
What is the InChIKey of N-(2-chloroethyl)-N-ethylmethanesulfonamide?
The InChIKey is JNMGXFWEDAAXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-3-7(5-4-6)10(2,8)9/h3-5H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-ethylmethanesulfonamide?
N-(2-chloroethyl)-N-ethylmethanesulfonamide has a molecular weight of 185.68 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 63397656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).