N-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide

C11H24BrNO2S — CID 106118353

IUPACN-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)CC(C)C
InChIInChI=1S/C11H24BrNO2S/c1-4-5-11(6-7-12)8-13-16(14,15)9-10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyDAPKUJSURWIDIT-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.76
Rot. Bonds9

About N-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide

N-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide (PubChem CID 106118353) has the molecular formula C11H24BrNO2S and a molecular weight of 314.29 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide
PubChem CID106118353
Molecular FormulaC11H24BrNO2S
Molecular Weight314.29 g/mol
Exact Mass313.07
IUPAC NameN-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)CC(C)C
InChIInChI=1S/C11H24BrNO2S/c1-4-5-11(6-7-12)8-13-16(14,15)9-10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyDAPKUJSURWIDIT-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylpropane-1-sulfonamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide (CID 106118353) is N-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide is CCCC(CCBr)CNS(=O)(=O)CC(C)C.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide?
The InChIKey is DAPKUJSURWIDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO2S/c1-4-5-11(6-7-12)8-13-16(14,15)9-10(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide?
N-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide has a molecular weight of 314.29 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 106118353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).