N-(3-phenoxypropyl)propane-1-sulfonamide

C12H19NO3S — CID 61383933

IUPACN-(3-phenoxypropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCOc1ccccc1
InChIInChI=1S/C12H19NO3S/c1-2-11-17(14,15)13-9-6-10-16-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3
InChIKeyJQJJURYHHBWFNC-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.78
Rot. Bonds8

About N-(3-phenoxypropyl)propane-1-sulfonamide

N-(3-phenoxypropyl)propane-1-sulfonamide (PubChem CID 61383933) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(3-phenoxypropyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-phenoxypropyl)propane-1-sulfonamide
PubChem CID61383933
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(3-phenoxypropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCOc1ccccc1
InChIInChI=1S/C12H19NO3S/c1-2-11-17(14,15)13-9-6-10-16-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3
InChIKeyJQJJURYHHBWFNC-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide
CID 55017062
4-(2-phenoxyethylsulfamoyl)butanoic acid
CID 55012765
1-phenoxy-N-propylmethanesulfonamide
CID 67759583
3-(dimethylsulfamoylamino)propoxybenzene
CID 35331180
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
N-(2-phenoxyethoxy)butane-1-sulfonamide
CID 110294712
N-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide
CID 106018382
N-(3-octoxypropyl)-1-phenylmethanesulfonamide
CID 19014106
N-benzyl-2-phenoxyethanesulfonamide
CID 11140850
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
azane;pentoxybenzene;sulfuric acid
CID 173020031
N-methyl-3-phenoxypropan-1-amine
CID 22067856

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)propane-1-sulfonamide?
The IUPAC name of N-(3-phenoxypropyl)propane-1-sulfonamide (CID 61383933) is N-(3-phenoxypropyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-phenoxypropyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-phenoxypropyl)propane-1-sulfonamide is CCCS(=O)(=O)NCCCOc1ccccc1.
What is the InChIKey of N-(3-phenoxypropyl)propane-1-sulfonamide?
The InChIKey is JQJJURYHHBWFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-2-11-17(14,15)13-9-6-10-16-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3.
What are the key properties of N-(3-phenoxypropyl)propane-1-sulfonamide?
N-(3-phenoxypropyl)propane-1-sulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)propane-1-sulfonamide is sourced from PubChem (CID 61383933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).