N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide

C9H20ClNO3S — CID 106158927

IUPACN-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCCCC(C)CCl
InChIInChI=1S/C9H20ClNO3S/c1-9(8-10)4-3-5-11-15(12,13)7-6-14-2/h9,11H,3-8H2,1-2H3
InChIKeyLMQXIBXTONRXCU-UHFFFAOYSA-N
MW257.78 g/mol
LogP1.21
Rot. Bonds9

About N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide

N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide (PubChem CID 106158927) has the molecular formula C9H20ClNO3S and a molecular weight of 257.78 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide
PubChem CID106158927
Molecular FormulaC9H20ClNO3S
Molecular Weight257.78 g/mol
Exact Mass257.09
IUPAC NameN-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCCCC(C)CCl
InChIInChI=1S/C9H20ClNO3S/c1-9(8-10)4-3-5-11-15(12,13)7-6-14-2/h9,11H,3-8H2,1-2H3
InChIKeyLMQXIBXTONRXCU-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 51.21
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-4-methylpentyl)-3-methylbutane-1-sulfonamide
CID 106158943
N-(5-chloro-4-methylpentyl)-2-methylsulfonylethanesulfonamide
CID 106158833
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
N-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid
CID 80540283
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
N-(1-chloro-4-methylpentan-2-yl)-2-methoxyethanesulfonamide
CID 65030939
N-[3-(2-methoxyethylsulfonylamino)propyl]acetamide
CID 110309562
N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
CID 62666694
2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide
CID 115302783
N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide
CID 104594111

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide (CID 106158927) is N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCCCC(C)CCl.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide?
The InChIKey is LMQXIBXTONRXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO3S/c1-9(8-10)4-3-5-11-15(12,13)7-6-14-2/h9,11H,3-8H2,1-2H3.
What are the key properties of N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide?
N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide has a molecular weight of 257.78 g/mol, XLogP of 1.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 106158927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).