N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide

C11H24ClNO3S — CID 106146162

IUPACN-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C11H24ClNO3S/c1-4-16-8-9-17(14,15)13-10-11(2,3)6-5-7-12/h13H,4-10H2,1-3H3
InChIKeyCMXXIUASSNSCMF-UHFFFAOYSA-N
MW285.84 g/mol
LogP1.99
Rot. Bonds10

About N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide

N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide (PubChem CID 106146162) has the molecular formula C11H24ClNO3S and a molecular weight of 285.84 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide
PubChem CID106146162
Molecular FormulaC11H24ClNO3S
Molecular Weight285.84 g/mol
Exact Mass285.12
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C11H24ClNO3S/c1-4-16-8-9-17(14,15)13-10-11(2,3)6-5-7-12/h13H,4-10H2,1-3H3
InChIKeyCMXXIUASSNSCMF-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 51.99
H-Bond Donors ≤ 51
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-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide
CID 106146169
N-(4-chloro-2-methylbutyl)-2-ethoxyethanesulfonamide
CID 66089953
3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
CID 114943825
N-(4-chloro-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106146106
N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113347924
2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide
CID 63245767
N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 99802931
2-ethoxy-N-(4-iodobutyl)ethanesulfonamide
CID 106846595
2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide
CID 106169682
2-ethoxy-N-[2-(methylamino)ethyl]ethanesulfonamide;hydrochloride
CID 119973004
3-chloro-N-[2-(dimethylamino)-2-methylpropyl]propane-1-sulfonamide
CID 61249127
N-(2,2-dimethylbutyl)propane-1-sulfonamide
CID 103465142

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide (CID 106146162) is N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NCC(C)(C)CCCCl.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide?
The InChIKey is CMXXIUASSNSCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO3S/c1-4-16-8-9-17(14,15)13-10-11(2,3)6-5-7-12/h13H,4-10H2,1-3H3.
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide?
N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide has a molecular weight of 285.84 g/mol, XLogP of 1.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 106146162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).