N-(4-phenylbutyl)ethanesulfonamide

C12H19NO2S — CID 2179616

IUPACN-(4-phenylbutyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCCc1ccccc1
InChIInChI=1S/C12H19NO2S/c1-2-16(14,15)13-11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyNTYHJQRJMBOSJF-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.95
Rot. Bonds7

About N-(4-phenylbutyl)ethanesulfonamide

N-(4-phenylbutyl)ethanesulfonamide (PubChem CID 2179616) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(4-phenylbutyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-phenylbutyl)ethanesulfonamide
PubChem CID2179616
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(4-phenylbutyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCCc1ccccc1
InChIInChI=1S/C12H19NO2S/c1-2-16(14,15)13-11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyNTYHJQRJMBOSJF-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-phenylbutyl)ethanesulfonamide?
The IUPAC name of N-(4-phenylbutyl)ethanesulfonamide (CID 2179616) is N-(4-phenylbutyl)ethanesulfonamide.
What is the SMILES notation for N-(4-phenylbutyl)ethanesulfonamide?
The canonical SMILES for N-(4-phenylbutyl)ethanesulfonamide is CCS(=O)(=O)NCCCCc1ccccc1.
What is the InChIKey of N-(4-phenylbutyl)ethanesulfonamide?
The InChIKey is NTYHJQRJMBOSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-2-16(14,15)13-11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3.
What are the key properties of N-(4-phenylbutyl)ethanesulfonamide?
N-(4-phenylbutyl)ethanesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)ethanesulfonamide is sourced from PubChem (CID 2179616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).