N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide

C12H24ClNO3S — CID 114145876

IUPACN-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide
SMILESCCCC(CCCl)CNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H24ClNO3S/c1-2-3-11(4-7-13)10-14-18(15,16)12-5-8-17-9-6-12/h11-12,14H,2-10H2,1H3
InChIKeyFQSLGIAWEKMNBI-UHFFFAOYSA-N
MW297.85 g/mol
LogP2.13
Rot. Bonds8

About N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide

N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide (PubChem CID 114145876) has the molecular formula C12H24ClNO3S and a molecular weight of 297.85 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide
PubChem CID114145876
Molecular FormulaC12H24ClNO3S
Molecular Weight297.85 g/mol
Exact Mass297.12
IUPAC NameN-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide
SMILESCCCC(CCCl)CNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H24ClNO3S/c1-2-3-11(4-7-13)10-14-18(15,16)12-5-8-17-9-6-12/h11-12,14H,2-10H2,1H3
InChIKeyFQSLGIAWEKMNBI-UHFFFAOYSA-N
XLogP2.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 52.13
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-hydroxyethyl)pentyl]cyclopentanesulfonamide
CID 113318737
N-(2-hydroxypropyl)oxane-4-sulfonamide
CID 62050306
N-[(2R)-2-hydroxypropyl]oxane-4-sulfonamide
CID 83029694
N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide
CID 114294616
N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide
CID 114168552
2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid
CID 62675881
N-(2-cyanopropyl)oxane-4-sulfonamide
CID 62653493
N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide
CID 105361729
N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide
CID 115365332
N-hex-1-yn-3-yloxane-4-sulfonamide
CID 106898803
N-(2-ethylbutyl)cyclopentanesulfonamide
CID 115613328
N-[2-(2-chloroethoxy)ethyl]oxane-4-sulfonamide
CID 65033634

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide (CID 114145876) is N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide is CCCC(CCCl)CNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide?
The InChIKey is FQSLGIAWEKMNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO3S/c1-2-3-11(4-7-13)10-14-18(15,16)12-5-8-17-9-6-12/h11-12,14H,2-10H2,1H3.
What are the key properties of N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide?
N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide has a molecular weight of 297.85 g/mol, XLogP of 2.13, 8 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]oxane-4-sulfonamide is sourced from PubChem (CID 114145876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).