N-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide

C15H24N2O2S — CID 70411421

IUPACN-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide
SMILESCCCCCC/N=C/Cc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-4-5-6-12-16-13-11-14-7-9-15(10-8-14)17-20(2,18)19/h7-10,13,17H,3-6,11-12H2,1-2H3/b16-13+
InChIKeyTUBWQMCAJQAWEO-DTQAZKPQSA-N
MW296.44 g/mol
LogP3.25
Rot. Bonds9

About N-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide

N-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide (PubChem CID 70411421) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide
PubChem CID70411421
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide
SMILESCCCCCC/N=C/Cc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-4-5-6-12-16-13-11-14-7-9-15(10-8-14)17-20(2,18)19/h7-10,13,17H,3-6,11-12H2,1-2H3/b16-13+
InChIKeyTUBWQMCAJQAWEO-DTQAZKPQSA-N
XLogP3.25
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide (CID 70411421) is N-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide is CCCCCC/N=C/Cc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide?
The InChIKey is TUBWQMCAJQAWEO-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-4-5-6-12-16-13-11-14-7-9-15(10-8-14)17-20(2,18)19/h7-10,13,17H,3-6,11-12H2,1-2H3/b16-13+.
What are the key properties of N-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide?
N-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 70411421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).