N-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride

C16H14ClNO3S — CID 45263173

IUPACN-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(NO)cc1)c1cccc2ccccc12
InChIInChI=1S/C16H13NO3S.ClH/c18-17-13-8-10-14(11-9-13)21(19,20)16-7-3-5-12-4-1-2-6-15(12)16;/h1-11,17-18H;1H
InChIKeyUAAJWIJNULRNKP-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.90
Rot. Bonds3

About N-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride

N-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride (PubChem CID 45263173) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride
PubChem CID45263173
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC NameN-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(NO)cc1)c1cccc2ccccc12
InChIInChI=1S/C16H13NO3S.ClH/c18-17-13-8-10-14(11-9-13)21(19,20)16-7-3-5-12-4-1-2-6-15(12)16;/h1-11,17-18H;1H
InChIKeyUAAJWIJNULRNKP-UHFFFAOYSA-N
XLogP3.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride?
The IUPAC name of N-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride (CID 45263173) is N-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride.
What is the SMILES notation for N-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride?
The canonical SMILES for N-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride is Cl.O=S(=O)(c1ccc(NO)cc1)c1cccc2ccccc12.
What is the InChIKey of N-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride?
The InChIKey is UAAJWIJNULRNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S.ClH/c18-17-13-8-10-14(11-9-13)21(19,20)16-7-3-5-12-4-1-2-6-15(12)16;/h1-11,17-18H;1H.
What are the key properties of N-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride?
N-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride has a molecular weight of 335.81 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylsulfonylphenyl)hydroxylamine;hydrochloride is sourced from PubChem (CID 45263173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).