N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide

C15H24BrNO2S — CID 107848755

IUPACN-(6-bromohexyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NCCCCCCBr)c1ccccc1
InChIInChI=1S/C15H24BrNO2S/c1-14(15-9-5-4-6-10-15)13-20(18,19)17-12-8-3-2-7-11-16/h4-6,9-10,14,17H,2-3,7-8,11-13H2,1H3
InChIKeyDXHPKNMYXKCGEX-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.66
Rot. Bonds10

About N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide

N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide (PubChem CID 107848755) has the molecular formula C15H24BrNO2S and a molecular weight of 362.33 g/mol. Its IUPAC name is N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-2-phenylpropane-1-sulfonamide
PubChem CID107848755
Molecular FormulaC15H24BrNO2S
Molecular Weight362.33 g/mol
Exact Mass361.07
IUPAC NameN-(6-bromohexyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NCCCCCCBr)c1ccccc1
InChIInChI=1S/C15H24BrNO2S/c1-14(15-9-5-4-6-10-15)13-20(18,19)17-12-8-3-2-7-11-16/h4-6,9-10,14,17H,2-3,7-8,11-13H2,1H3
InChIKeyDXHPKNMYXKCGEX-UHFFFAOYSA-N
XLogP3.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride
CID 81358184
N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188
N-[2-(ethylamino)ethyl]-2-phenylpropane-1-sulfonamide
CID 80686787
N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide
CID 104600558
N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide
CID 106145736
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
4-(2-phenylpropylsulfonylamino)butanimidamide
CID 80687571
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
N-(2-bromo-4,4-dimethylpentyl)-2-phenylpropane-1-sulfonamide
CID 107158108
2-phenylpropane-1-sulfonic acid
CID 18989058

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide (CID 107848755) is N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)NCCCCCCBr)c1ccccc1.
What is the InChIKey of N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide?
The InChIKey is DXHPKNMYXKCGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2S/c1-14(15-9-5-4-6-10-15)13-20(18,19)17-12-8-3-2-7-11-16/h4-6,9-10,14,17H,2-3,7-8,11-13H2,1H3.
What are the key properties of N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide?
N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide has a molecular weight of 362.33 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 107848755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).