N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide

C10H22ClNO3S — CID 106118276

IUPACN-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide
SMILESCCCC(CCCl)CNS(=O)(=O)CCOC
InChIInChI=1S/C10H22ClNO3S/c1-3-4-10(5-6-11)9-12-16(13,14)8-7-15-2/h10,12H,3-9H2,1-2H3
InChIKeyBLERNDMNFRJKFB-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.60
Rot. Bonds10

About N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide

N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide (PubChem CID 106118276) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide
PubChem CID106118276
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC NameN-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide
SMILESCCCC(CCCl)CNS(=O)(=O)CCOC
InChIInChI=1S/C10H22ClNO3S/c1-3-4-10(5-6-11)9-12-16(13,14)8-7-15-2/h10,12H,3-9H2,1-2H3
InChIKeyBLERNDMNFRJKFB-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 51.60
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-[2-(2-aminoethyl)pentyl]-2-methoxyethanesulfonamide
CID 106116359
N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide
CID 106118299
3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide
CID 106115961
N-[2-(2-bromoethyl)pentyl]-2-ethoxyethanesulfonamide
CID 106118395
N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide
CID 106117629
N-(4-chloro-2-methylbutyl)propane-1-sulfonamide
CID 66089022
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide
CID 106115960
N-(4-chloro-2-methylbutyl)-2-ethoxyethanesulfonamide
CID 66089953
methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate
CID 103493525
N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
CID 62666694
2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide
CID 115302783

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide (CID 106118276) is N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide is CCCC(CCCl)CNS(=O)(=O)CCOC.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide?
The InChIKey is BLERNDMNFRJKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-3-4-10(5-6-11)9-12-16(13,14)8-7-15-2/h10,12H,3-9H2,1-2H3.
What are the key properties of N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide?
N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide has a molecular weight of 271.81 g/mol, XLogP of 1.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 106118276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).