N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide

C19H24N2O2S — CID 91557158

IUPACN-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide
SMILESCC(C)(CNS(=O)(=O)C=Cc1ccccc1)c1cccc(CN)c1
InChIInChI=1S/C19H24N2O2S/c1-19(2,18-10-6-9-17(13-18)14-20)15-21-24(22,23)12-11-16-7-4-3-5-8-16/h3-13,21H,14-15,20H2,1-2H3
InChIKeyHUZFBVOKTORSOH-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.01
Rot. Bonds7

About N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide

N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide (PubChem CID 91557158) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide
PubChem CID91557158
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide
SMILESCC(C)(CNS(=O)(=O)C=Cc1ccccc1)c1cccc(CN)c1
InChIInChI=1S/C19H24N2O2S/c1-19(2,18-10-6-9-17(13-18)14-20)15-21-24(22,23)12-11-16-7-4-3-5-8-16/h3-13,21H,14-15,20H2,1-2H3
InChIKeyHUZFBVOKTORSOH-UHFFFAOYSA-N
XLogP3.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide?
The IUPAC name of N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide (CID 91557158) is N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide.
What is the SMILES notation for N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide?
The canonical SMILES for N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide is CC(C)(CNS(=O)(=O)C=Cc1ccccc1)c1cccc(CN)c1.
What is the InChIKey of N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide?
The InChIKey is HUZFBVOKTORSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-19(2,18-10-6-9-17(13-18)14-20)15-21-24(22,23)12-11-16-7-4-3-5-8-16/h3-13,21H,14-15,20H2,1-2H3.
What are the key properties of N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide?
N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 91557158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).