3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide

C15H26N2O2S — CID 106003440

IUPAC3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)Nc1ccccc1CCC
InChIInChI=1S/C15H26N2O2S/c1-3-8-14-9-5-6-10-15(14)17-20(18,19)13-7-12-16-11-4-2/h5-6,9-10,16-17H,3-4,7-8,11-13H2,1-2H3
InChIKeyQUHJGGRHASCOEE-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.77
Rot. Bonds10

About 3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide

3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide (PubChem CID 106003440) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide
PubChem CID106003440
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)Nc1ccccc1CCC
InChIInChI=1S/C15H26N2O2S/c1-3-8-14-9-5-6-10-15(14)17-20(18,19)13-7-12-16-11-4-2/h5-6,9-10,16-17H,3-4,7-8,11-13H2,1-2H3
InChIKeyQUHJGGRHASCOEE-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

2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
CID 54972905
N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide
CID 106003226
N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide
CID 114141241
N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide
CID 173327955
N-[2-(difluoromethylsulfanyl)phenyl]-3-(propylamino)propane-1-sulfonamide
CID 106057856
N-(3-fluoro-2-methylphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106018387
3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide
CID 106057677
2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide
CID 54972159
N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide
CID 106003223
N-(2,6-dibromophenyl)-3-(propylamino)propane-1-sulfonamide
CID 106088845
3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
CID 107591687
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide (CID 106003440) is 3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide is CCCNCCCS(=O)(=O)Nc1ccccc1CCC.
What is the InChIKey of 3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide?
The InChIKey is QUHJGGRHASCOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-3-8-14-9-5-6-10-15(14)17-20(18,19)13-7-12-16-11-4-2/h5-6,9-10,16-17H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide?
3-(propylamino)-N-(2-propylphenyl)propane-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 3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 106003440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).