N-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide

C24H25NO2S — CID 67376960

IUPACN-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide
SMILESCCCCCN(C1C=Cc2cccc3cccc1c23)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25NO2S/c1-2-3-7-18-25(28(26,27)21-13-5-4-6-14-21)23-17-16-20-11-8-10-19-12-9-15-22(23)24(19)20/h4-6,8-17,23H,2-3,7,18H2,1H3
InChIKeyRZBWMICBOKXNCM-UHFFFAOYSA-N
MW391.54 g/mol
LogP5.79
Rot. Bonds7

About N-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide

N-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide (PubChem CID 67376960) has the molecular formula C24H25NO2S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide
PubChem CID67376960
Molecular FormulaC24H25NO2S
Molecular Weight391.54 g/mol
Exact Mass391.16
IUPAC NameN-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide
SMILESCCCCCN(C1C=Cc2cccc3cccc1c23)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25NO2S/c1-2-3-7-18-25(28(26,27)21-13-5-4-6-14-21)23-17-16-20-11-8-10-19-12-9-15-22(23)24(19)20/h4-6,8-17,23H,2-3,7,18H2,1H3
InChIKeyRZBWMICBOKXNCM-UHFFFAOYSA-N
XLogP5.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.79
H-Bond Donors ≤ 50
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-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide?
The IUPAC name of N-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide (CID 67376960) is N-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide.
What is the SMILES notation for N-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide?
The canonical SMILES for N-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide is CCCCCN(C1C=Cc2cccc3cccc1c23)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide?
The InChIKey is RZBWMICBOKXNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2S/c1-2-3-7-18-25(28(26,27)21-13-5-4-6-14-21)23-17-16-20-11-8-10-19-12-9-15-22(23)24(19)20/h4-6,8-17,23H,2-3,7,18H2,1H3.
What are the key properties of N-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide?
N-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide has a molecular weight of 391.54 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 67376960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).