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

C11H24BrNO2S — CID 106118346

IUPACN-[2-(2-bromoethyl)pentyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(CCC)CCBr
InChIInChI=1S/C11H24BrNO2S/c1-3-5-9-16(14,15)13-10-11(6-4-2)7-8-12/h11,13H,3-10H2,1-2H3
InChIKeyMRPWIJKSIMXFGD-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.91
Rot. Bonds10

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

N-[2-(2-bromoethyl)pentyl]butane-1-sulfonamide (PubChem CID 106118346) has the molecular formula C11H24BrNO2S and a molecular weight of 314.29 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]butane-1-sulfonamide
PubChem CID106118346
Molecular FormulaC11H24BrNO2S
Molecular Weight314.29 g/mol
Exact Mass313.07
IUPAC NameN-[2-(2-bromoethyl)pentyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(CCC)CCBr
InChIInChI=1S/C11H24BrNO2S/c1-3-5-9-16(14,15)13-10-11(6-4-2)7-8-12/h11,13H,3-10H2,1-2H3
InChIKeyMRPWIJKSIMXFGD-UHFFFAOYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.91
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]butane-1-sulfonamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]butane-1-sulfonamide (CID 106118346) is N-[2-(2-bromoethyl)pentyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC(CCC)CCBr.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]butane-1-sulfonamide?
The InChIKey is MRPWIJKSIMXFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO2S/c1-3-5-9-16(14,15)13-10-11(6-4-2)7-8-12/h11,13H,3-10H2,1-2H3.
What are the key properties of N-[2-(2-bromoethyl)pentyl]butane-1-sulfonamide?
N-[2-(2-bromoethyl)pentyl]butane-1-sulfonamide has a molecular weight of 314.29 g/mol, XLogP of 2.91, 10 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]butane-1-sulfonamide is sourced from PubChem (CID 106118346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).