2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium

C18H27N2O2S+ — CID 2459418

IUPAC2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium
SMILESCC(C)[NH+](CCNS(=O)(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C18H26N2O2S/c1-14(2)20(15(3)4)12-11-19-23(21,22)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-15,19H,11-12H2,1-4H3/p+1
InChIKeyQLHIKQXVZTUCRG-UHFFFAOYSA-O
MW335.49 g/mol
LogP1.82
Rot. Bonds7

About 2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium

2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium (PubChem CID 2459418) has the molecular formula C18H27N2O2S+ and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium.

Molecular Properties

Compound Name2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium
PubChem CID2459418
Molecular FormulaC18H27N2O2S+
Molecular Weight335.49 g/mol
Exact Mass335.18
IUPAC Name2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium
SMILESCC(C)[NH+](CCNS(=O)(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C18H26N2O2S/c1-14(2)20(15(3)4)12-11-19-23(21,22)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-15,19H,11-12H2,1-4H3/p+1
InChIKeyQLHIKQXVZTUCRG-UHFFFAOYSA-O
XLogP1.82
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732
N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 119964824
N-nonylnaphthalene-2-sulfonamide
CID 19681387
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
(2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid
CID 119238107
N-[2-(2-methoxyethylamino)ethyl]naphthalene-2-sulfonamide
CID 83036908
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium?
The IUPAC name of 2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium (CID 2459418) is 2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium.
What is the SMILES notation for 2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium?
The canonical SMILES for 2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium is CC(C)[NH+](CCNS(=O)(=O)c1ccc2ccccc2c1)C(C)C.
What is the InChIKey of 2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium?
The InChIKey is QLHIKQXVZTUCRG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H26N2O2S/c1-14(2)20(15(3)4)12-11-19-23(21,22)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-15,19H,11-12H2,1-4H3/p+1.
What are the key properties of 2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium?
2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium has a molecular weight of 335.49 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium is sourced from PubChem (CID 2459418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).