N-[5-(diethylamino)pentyl]benzenesulfonamide

C15H26N2O2S — CID 110444587

IUPACN-[5-(diethylamino)pentyl]benzenesulfonamide
SMILESCCN(CC)CCCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-3-17(4-2)14-10-6-9-13-16-20(18,19)15-11-7-5-8-12-15/h5,7-8,11-12,16H,3-4,6,9-10,13-14H2,1-2H3
InChIKeyCDKCFKOVFMZBND-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.48
Rot. Bonds10

About N-[5-(diethylamino)pentyl]benzenesulfonamide

N-[5-(diethylamino)pentyl]benzenesulfonamide (PubChem CID 110444587) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[5-(diethylamino)pentyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentyl]benzenesulfonamide
PubChem CID110444587
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[5-(diethylamino)pentyl]benzenesulfonamide
SMILESCCN(CC)CCCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-3-17(4-2)14-10-6-9-13-16-20(18,19)15-11-7-5-8-12-15/h5,7-8,11-12,16H,3-4,6,9-10,13-14H2,1-2H3
InChIKeyCDKCFKOVFMZBND-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.48
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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Related Compounds

N-tridecylbenzenesulfonamide
CID 3514704
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide
CID 154196449
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide
CID 11584206
N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507419
3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 9266391
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
CID 6735582
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
methyl 7-(benzenesulfonamido)heptanoate
CID 31847638
N-[3-(diethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 18525278

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentyl]benzenesulfonamide?
The IUPAC name of N-[5-(diethylamino)pentyl]benzenesulfonamide (CID 110444587) is N-[5-(diethylamino)pentyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(diethylamino)pentyl]benzenesulfonamide?
The canonical SMILES for N-[5-(diethylamino)pentyl]benzenesulfonamide is CCN(CC)CCCCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-(diethylamino)pentyl]benzenesulfonamide?
The InChIKey is CDKCFKOVFMZBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-3-17(4-2)14-10-6-9-13-16-20(18,19)15-11-7-5-8-12-15/h5,7-8,11-12,16H,3-4,6,9-10,13-14H2,1-2H3.
What are the key properties of N-[5-(diethylamino)pentyl]benzenesulfonamide?
N-[5-(diethylamino)pentyl]benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.48, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentyl]benzenesulfonamide is sourced from PubChem (CID 110444587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).