N-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide

C6H14ClNO5S2 — CID 82842980

IUPACN-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCCOCCCl
InChIInChI=1S/C6H14ClNO5S2/c1-14(9,10)6-15(11,12)8-3-5-13-4-2-7/h8H,2-6H2,1H3
InChIKeyHFTLOQQKHJCVDX-UHFFFAOYSA-N
MW279.77 g/mol
LogP-0.84
Rot. Bonds8

About N-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide

N-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide (PubChem CID 82842980) has the molecular formula C6H14ClNO5S2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide
PubChem CID82842980
Molecular FormulaC6H14ClNO5S2
Molecular Weight279.77 g/mol
Exact Mass279.00
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCCOCCCl
InChIInChI=1S/C6H14ClNO5S2/c1-14(9,10)6-15(11,12)8-3-5-13-4-2-7/h8H,2-6H2,1H3
InChIKeyHFTLOQQKHJCVDX-UHFFFAOYSA-N
XLogP-0.84
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82842853
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide
CID 107652526
N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82842362
N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82840011
N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide
CID 104522334
N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide
CID 106125800
N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide
CID 107323115
N-[2-(2-chloroethoxy)ethyl]-3-ethylsulfonylpropan-1-amine
CID 65097514
N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide
CID 65033687
N-[2-(2-chloroethoxy)ethyl]oxane-4-sulfonamide
CID 65033634
N-(6-chlorohexyl)-2-methylsulfonylethanesulfonamide
CID 107849083

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide (CID 82842980) is N-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NCCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is HFTLOQQKHJCVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO5S2/c1-14(9,10)6-15(11,12)8-3-5-13-4-2-7/h8H,2-6H2,1H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide?
N-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 279.77 g/mol, XLogP of -0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82842980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).