N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide

C14H23NO4S — CID 104600558

IUPACN-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NCCCOCCO)c1ccccc1
InChIInChI=1S/C14H23NO4S/c1-13(14-6-3-2-4-7-14)12-20(17,18)15-8-5-10-19-11-9-16/h2-4,6-7,13,15-16H,5,8-12H2,1H3
InChIKeyYJPBQKBWWDOONJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.11
Rot. Bonds10

About N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide

N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide (PubChem CID 104600558) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide
PubChem CID104600558
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NCCCOCCO)c1ccccc1
InChIInChI=1S/C14H23NO4S/c1-13(14-6-3-2-4-7-14)12-20(17,18)15-8-5-10-19-11-9-16/h2-4,6-7,13,15-16H,5,8-12H2,1H3
InChIKeyYJPBQKBWWDOONJ-UHFFFAOYSA-N
XLogP1.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-phenylbutylamino)propoxy]ethanol
CID 107095408
N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide
CID 107848755
N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
4-(2-phenylpropylsulfonylamino)butanimidamide
CID 80687571
N-[2-(ethylamino)ethyl]-2-phenylpropane-1-sulfonamide
CID 80686787
2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride
CID 81358184
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide
CID 80685968
2-[(2S)-2-phenylpropoxy]ethanol
CID 146643647
2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid
CID 67637593

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide (CID 104600558) is N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)NCCCOCCO)c1ccccc1.
What is the InChIKey of N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide?
The InChIKey is YJPBQKBWWDOONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-13(14-6-3-2-4-7-14)12-20(17,18)15-8-5-10-19-11-9-16/h2-4,6-7,13,15-16H,5,8-12H2,1H3.
What are the key properties of N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide?
N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 104600558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).