N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide

C8H17Cl2NO3S — CID 107868392

IUPACN-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide
SMILESCCC(CCl)(CCl)NS(=O)(=O)CCOC
InChIInChI=1S/C8H17Cl2NO3S/c1-3-8(6-9,7-10)11-15(12,13)5-4-14-2/h11H,3-7H2,1-2H3
InChIKeyBADDDJAIAFOWAH-UHFFFAOYSA-N
MW278.20 g/mol
LogP1.18
Rot. Bonds8

About N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide

N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide (PubChem CID 107868392) has the molecular formula C8H17Cl2NO3S and a molecular weight of 278.20 g/mol. Its IUPAC name is N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide
PubChem CID107868392
Molecular FormulaC8H17Cl2NO3S
Molecular Weight278.20 g/mol
Exact Mass277.03
IUPAC NameN-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide
SMILESCCC(CCl)(CCl)NS(=O)(=O)CCOC
InChIInChI=1S/C8H17Cl2NO3S/c1-3-8(6-9,7-10)11-15(12,13)5-4-14-2/h11H,3-7H2,1-2H3
InChIKeyBADDDJAIAFOWAH-UHFFFAOYSA-N
XLogP1.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-chlorobutane-1-sulfonamide
CID 88048503
3-chloro-N-(2-methylbutan-2-yl)propane-1-sulfonamide
CID 43653932
N-[3-(chloromethyl)pentan-3-yl]-2-methoxyethanesulfonamide
CID 65031449
N-(1-chloro-2-methylbutan-2-yl)-2-methylpropane-1-sulfonamide
CID 65032310
N-(1-chloro-2-methylbutan-2-yl)oxane-4-sulfonamide
CID 65032312
N-(1-chloro-2-methylbutan-2-yl)ethanesulfonamide
CID 65032359
N-[3-(chloromethyl)pentan-3-yl]oxane-4-sulfonamide
CID 65032378
N-(1-chloro-2-methylbutan-2-yl)propane-1-sulfonamide
CID 65032514
N-(1-chloro-2-methylbutan-2-yl)-2-ethoxyethanesulfonamide
CID 65032666
N-(1-chloro-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide
CID 65032717
N-[3-(chloromethyl)pentan-3-yl]-2-ethoxyethanesulfonamide
CID 65032780
N-[3-(chloromethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide
CID 65032832

Frequently Asked Questions

What is the IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide (CID 107868392) is N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide is CCC(CCl)(CCl)NS(=O)(=O)CCOC.
What is the InChIKey of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide?
The InChIKey is BADDDJAIAFOWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl2NO3S/c1-3-8(6-9,7-10)11-15(12,13)5-4-14-2/h11H,3-7H2,1-2H3.
What are the key properties of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide?
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide has a molecular weight of 278.20 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 107868392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).