N-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide

C12H26BrNO3S — CID 106118354

IUPACN-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)CCOC(C)C
InChIInChI=1S/C12H26BrNO3S/c1-4-5-12(6-7-13)10-14-18(15,16)9-8-17-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyVIZAPQAJYYKOEO-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.53
Rot. Bonds11

About N-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide

N-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 106118354) has the molecular formula C12H26BrNO3S and a molecular weight of 344.32 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID106118354
Molecular FormulaC12H26BrNO3S
Molecular Weight344.32 g/mol
Exact Mass343.08
IUPAC NameN-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)CCOC(C)C
InChIInChI=1S/C12H26BrNO3S/c1-4-5-12(6-7-13)10-14-18(15,16)9-8-17-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyVIZAPQAJYYKOEO-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide (CID 106118354) is N-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide is CCCC(CCBr)CNS(=O)(=O)CCOC(C)C.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is VIZAPQAJYYKOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26BrNO3S/c1-4-5-12(6-7-13)10-14-18(15,16)9-8-17-11(2)3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide?
N-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 344.32 g/mol, XLogP of 2.53, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 106118354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).