N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide

C15H24ClNO2S — CID 106118299

IUPACN-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide
SMILESCCCC(CCCl)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H24ClNO2S/c1-2-6-15(9-11-16)13-17-20(18,19)12-10-14-7-4-3-5-8-14/h3-5,7-8,15,17H,2,6,9-13H2,1H3
InChIKeyYZTGIRLEIDHLIA-UHFFFAOYSA-N
MW317.88 g/mol
LogP3.19
Rot. Bonds10

About N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide

N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide (PubChem CID 106118299) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide
PubChem CID106118299
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC NameN-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide
SMILESCCCC(CCCl)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H24ClNO2S/c1-2-6-15(9-11-16)13-17-20(18,19)12-10-14-7-4-3-5-8-14/h3-5,7-8,15,17H,2,6,9-13H2,1H3
InChIKeyYZTGIRLEIDHLIA-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 53.19
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-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide
CID 106118276
N-(2-aminobutyl)-2-phenylethanesulfonamide
CID 63731385
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
N-(4-chloro-2-methylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 66089715
2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
CID 66167720
N-(3-bromopentyl)-2-phenylethanesulfonamide
CID 113498008
3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide
CID 106115961
N-(3-chloro-2,2-dimethylpropyl)-2-phenylethanesulfonamide
CID 113295116
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329
N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 103697673
N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 107158980
N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide
CID 80688482

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide (CID 106118299) is N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide is CCCC(CCCl)CNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide?
The InChIKey is YZTGIRLEIDHLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2S/c1-2-6-15(9-11-16)13-17-20(18,19)12-10-14-7-4-3-5-8-14/h3-5,7-8,15,17H,2,6,9-13H2,1H3.
What are the key properties of N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide?
N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide has a molecular weight of 317.88 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 106118299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).