N-(3-ethoxypropyl)-1-phenylmethanesulfonamide

C12H19NO3S — CID 2180838

IUPACN-(3-ethoxypropyl)-1-phenylmethanesulfonamide
SMILESCCOCCCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H19NO3S/c1-2-16-10-6-9-13-17(14,15)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3
InChIKeyAEXAGPMOHCXBJK-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.53
Rot. Bonds8

About N-(3-ethoxypropyl)-1-phenylmethanesulfonamide

N-(3-ethoxypropyl)-1-phenylmethanesulfonamide (PubChem CID 2180838) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-phenylmethanesulfonamide
PubChem CID2180838
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(3-ethoxypropyl)-1-phenylmethanesulfonamide
SMILESCCOCCCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H19NO3S/c1-2-16-10-6-9-13-17(14,15)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3
InChIKeyAEXAGPMOHCXBJK-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-1-phenylmethanesulfonamide (CID 2180838) is N-(3-ethoxypropyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-phenylmethanesulfonamide is CCOCCCNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(3-ethoxypropyl)-1-phenylmethanesulfonamide?
The InChIKey is AEXAGPMOHCXBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-2-16-10-6-9-13-17(14,15)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-1-phenylmethanesulfonamide?
N-(3-ethoxypropyl)-1-phenylmethanesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 2180838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).