N-(3-bromopentyl)-2-phenylethanesulfonamide

C13H20BrNO2S — CID 113498008

IUPACN-(3-bromopentyl)-2-phenylethanesulfonamide
SMILESCCC(Br)CCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H20BrNO2S/c1-2-13(14)8-10-15-18(16,17)11-9-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3
InChIKeyCGIZQGXZQLGKPD-UHFFFAOYSA-N
MW334.28 g/mol
LogP2.71
Rot. Bonds8

About N-(3-bromopentyl)-2-phenylethanesulfonamide

N-(3-bromopentyl)-2-phenylethanesulfonamide (PubChem CID 113498008) has the molecular formula C13H20BrNO2S and a molecular weight of 334.28 g/mol. Its IUPAC name is N-(3-bromopentyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromopentyl)-2-phenylethanesulfonamide
PubChem CID113498008
Molecular FormulaC13H20BrNO2S
Molecular Weight334.28 g/mol
Exact Mass333.04
IUPAC NameN-(3-bromopentyl)-2-phenylethanesulfonamide
SMILESCCC(Br)CCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H20BrNO2S/c1-2-13(14)8-10-15-18(16,17)11-9-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3
InChIKeyCGIZQGXZQLGKPD-UHFFFAOYSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminobutyl)-2-phenylethanesulfonamide
CID 63731385
N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide
CID 86266756
N-(3-bromobutyl)-1-phenylmethanesulfonamide
CID 114297745
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide
CID 113051944
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
CID 90524502
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide
CID 90523818
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627
N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 97038625
N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide
CID 83039199
N-[3-(2-phenylethylsulfonylamino)propyl]acetamide
CID 110292134
N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide
CID 106118299

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopentyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(3-bromopentyl)-2-phenylethanesulfonamide (CID 113498008) is N-(3-bromopentyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(3-bromopentyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(3-bromopentyl)-2-phenylethanesulfonamide is CCC(Br)CCNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(3-bromopentyl)-2-phenylethanesulfonamide?
The InChIKey is CGIZQGXZQLGKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2S/c1-2-13(14)8-10-15-18(16,17)11-9-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3.
What are the key properties of N-(3-bromopentyl)-2-phenylethanesulfonamide?
N-(3-bromopentyl)-2-phenylethanesulfonamide has a molecular weight of 334.28 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopentyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 113498008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).