N-[2-(2-bromoethyl)pentyl]propane-2-sulfonamide

C10H22BrNO2S — CID 106118385

IUPACN-[2-(2-bromoethyl)pentyl]propane-2-sulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)C(C)C
InChIInChI=1S/C10H22BrNO2S/c1-4-5-10(6-7-11)8-12-15(13,14)9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyGMZPBRVYAWMRRL-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.52
Rot. Bonds8

About N-[2-(2-bromoethyl)pentyl]propane-2-sulfonamide

N-[2-(2-bromoethyl)pentyl]propane-2-sulfonamide (PubChem CID 106118385) has the molecular formula C10H22BrNO2S and a molecular weight of 300.26 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]propane-2-sulfonamide
PubChem CID106118385
Molecular FormulaC10H22BrNO2S
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC NameN-[2-(2-bromoethyl)pentyl]propane-2-sulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)C(C)C
InChIInChI=1S/C10H22BrNO2S/c1-4-5-10(6-7-11)8-12-15(13,14)9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyGMZPBRVYAWMRRL-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.52
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]propane-2-sulfonamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]propane-2-sulfonamide (CID 106118385) is N-[2-(2-bromoethyl)pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]propane-2-sulfonamide is CCCC(CCBr)CNS(=O)(=O)C(C)C.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]propane-2-sulfonamide?
The InChIKey is GMZPBRVYAWMRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO2S/c1-4-5-10(6-7-11)8-12-15(13,14)9(2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N-[2-(2-bromoethyl)pentyl]propane-2-sulfonamide?
N-[2-(2-bromoethyl)pentyl]propane-2-sulfonamide has a molecular weight of 300.26 g/mol, XLogP of 2.52, 8 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]propane-2-sulfonamide is sourced from PubChem (CID 106118385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).