(naphthalen-2-ylsulfonylamino)-phenylazanium chloride

C16H15ClN2O2S — CID 18531734

IUPAC(naphthalen-2-ylsulfonylamino)-phenylazanium chloride
SMILESO=S(=O)(N[NH2+]c1ccccc1)c1ccc2ccccc2c1.[Cl-]
InChIInChI=1S/C16H14N2O2S.ClH/c19-21(20,18-17-15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16;/h1-12,17-18H;1H
InChIKeyGPFXWHGNJNKHAV-UHFFFAOYSA-N
MW334.83 g/mol
LogP-1.07
Rot. Bonds4

About (naphthalen-2-ylsulfonylamino)-phenylazanium chloride

(naphthalen-2-ylsulfonylamino)-phenylazanium chloride (PubChem CID 18531734) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is (naphthalen-2-ylsulfonylamino)-phenylazanium chloride.

Molecular Properties

Compound Name(naphthalen-2-ylsulfonylamino)-phenylazanium chloride
PubChem CID18531734
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name(naphthalen-2-ylsulfonylamino)-phenylazanium chloride
SMILESO=S(=O)(N[NH2+]c1ccccc1)c1ccc2ccccc2c1.[Cl-]
InChIInChI=1S/C16H14N2O2S.ClH/c19-21(20,18-17-15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16;/h1-12,17-18H;1H
InChIKeyGPFXWHGNJNKHAV-UHFFFAOYSA-N
XLogP-1.07
TPSA62.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (naphthalen-2-ylsulfonylamino)-phenylazanium chloride?
The IUPAC name of (naphthalen-2-ylsulfonylamino)-phenylazanium chloride (CID 18531734) is (naphthalen-2-ylsulfonylamino)-phenylazanium chloride.
What is the SMILES notation for (naphthalen-2-ylsulfonylamino)-phenylazanium chloride?
The canonical SMILES for (naphthalen-2-ylsulfonylamino)-phenylazanium chloride is O=S(=O)(N[NH2+]c1ccccc1)c1ccc2ccccc2c1.[Cl-].
What is the InChIKey of (naphthalen-2-ylsulfonylamino)-phenylazanium chloride?
The InChIKey is GPFXWHGNJNKHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S.ClH/c19-21(20,18-17-15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16;/h1-12,17-18H;1H.
What are the key properties of (naphthalen-2-ylsulfonylamino)-phenylazanium chloride?
(naphthalen-2-ylsulfonylamino)-phenylazanium chloride has a molecular weight of 334.83 g/mol, XLogP of -1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (naphthalen-2-ylsulfonylamino)-phenylazanium chloride is sourced from PubChem (CID 18531734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).