N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide

C15H26N2O2S — CID 107236784

IUPACN-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C15H26N2O2S/c1-3-11-16-12-5-6-13-20(18,19)17-15-9-7-14(4-2)8-10-15/h7-10,16-17H,3-6,11-13H2,1-2H3
InChIKeyQFKXEJQSYCBTIJ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.77
Rot. Bonds10

About N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide

N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide (PubChem CID 107236784) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide
PubChem CID107236784
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C15H26N2O2S/c1-3-11-16-12-5-6-13-20(18,19)17-15-9-7-14(4-2)8-10-15/h7-10,16-17H,3-6,11-13H2,1-2H3
InChIKeyQFKXEJQSYCBTIJ-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107478266
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106053295
N-(4-bromo-3-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106076643
N-(3-bromo-4-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106067034
N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide
CID 114141200
N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide
CID 107278431
N-(2-chloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106029185
N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
CID 15040315
N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide
CID 154755711
N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide
CID 106071169
N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106058733

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide (CID 107236784) is N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide is CCCNCCCCS(=O)(=O)Nc1ccc(CC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide?
The InChIKey is QFKXEJQSYCBTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-3-11-16-12-5-6-13-20(18,19)17-15-9-7-14(4-2)8-10-15/h7-10,16-17H,3-6,11-13H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide?
N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide is sourced from PubChem (CID 107236784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).