N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride

C27H29ClN2O2S — CID 45260474

IUPACN-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride
SMILESCC(NCC(Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1cccc2ccccc12.Cl
InChIInChI=1S/C27H28N2O2S.ClH/c1-21(26-18-10-14-23-13-8-9-17-27(23)26)28-20-24(19-22-11-4-2-5-12-22)29-32(30,31)25-15-6-3-7-16-25;/h2-18,21,24,28-29H,19-20H2,1H3;1H
InChIKeyFHVSCXKGPSIMTD-UHFFFAOYSA-N
MW481.06 g/mol
LogP5.50
Rot. Bonds9

About N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride

N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride (PubChem CID 45260474) has the molecular formula C27H29ClN2O2S and a molecular weight of 481.06 g/mol. Its IUPAC name is N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride
PubChem CID45260474
Molecular FormulaC27H29ClN2O2S
Molecular Weight481.06 g/mol
Exact Mass480.16
IUPAC NameN-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride
SMILESCC(NCC(Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1cccc2ccccc12.Cl
InChIInChI=1S/C27H28N2O2S.ClH/c1-21(26-18-10-14-23-13-8-9-17-27(23)26)28-20-24(19-22-11-4-2-5-12-22)29-32(30,31)25-15-6-3-7-16-25;/h2-18,21,24,28-29H,19-20H2,1H3;1H
InChIKeyFHVSCXKGPSIMTD-UHFFFAOYSA-N
XLogP5.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.06
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride (CID 45260474) is N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride is CC(NCC(Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1cccc2ccccc12.Cl.
What is the InChIKey of N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride?
The InChIKey is FHVSCXKGPSIMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2S.ClH/c1-21(26-18-10-14-23-13-8-9-17-27(23)26)28-20-24(19-22-11-4-2-5-12-22)29-32(30,31)25-15-6-3-7-16-25;/h2-18,21,24,28-29H,19-20H2,1H3;1H.
What are the key properties of N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride?
N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride has a molecular weight of 481.06 g/mol, XLogP of 5.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 45260474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).