N-(3-butoxypropyl)-1-phenylmethanesulfonamide

C14H23NO3S — CID 2290683

IUPACN-(3-butoxypropyl)-1-phenylmethanesulfonamide
SMILESCCCCOCCCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H23NO3S/c1-2-3-11-18-12-7-10-15-19(16,17)13-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3
InChIKeyHOWAOKCEWQFGMX-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.31
Rot. Bonds10

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

N-(3-butoxypropyl)-1-phenylmethanesulfonamide (PubChem CID 2290683) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(3-butoxypropyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-1-phenylmethanesulfonamide
PubChem CID2290683
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(3-butoxypropyl)-1-phenylmethanesulfonamide
SMILESCCCCOCCCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H23NO3S/c1-2-3-11-18-12-7-10-15-19(16,17)13-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3
InChIKeyHOWAOKCEWQFGMX-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.31
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-butoxypropyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-butoxypropyl)-1-phenylmethanesulfonamide (CID 2290683) is N-(3-butoxypropyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-butoxypropyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-butoxypropyl)-1-phenylmethanesulfonamide is CCCCOCCCNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(3-butoxypropyl)-1-phenylmethanesulfonamide?
The InChIKey is HOWAOKCEWQFGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-2-3-11-18-12-7-10-15-19(16,17)13-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3.
What are the key properties of N-(3-butoxypropyl)-1-phenylmethanesulfonamide?
N-(3-butoxypropyl)-1-phenylmethanesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 2290683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).