N-hydroxy-6-naphthalen-2-ylsulfonylhexanamide

C16H19NO4S — CID 25242564

IUPACN-hydroxy-6-naphthalen-2-ylsulfonylhexanamide
SMILESO=C(CCCCCS(=O)(=O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C16H19NO4S/c18-16(17-19)8-2-1-5-11-22(20,21)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,19H,1-2,5,8,11H2,(H,17,18)
InChIKeyUZFXWCRUNXMVJF-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.68
Rot. Bonds7

About N-hydroxy-6-naphthalen-2-ylsulfonylhexanamide

N-hydroxy-6-naphthalen-2-ylsulfonylhexanamide (PubChem CID 25242564) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-hydroxy-6-naphthalen-2-ylsulfonylhexanamide.

Molecular Properties

Compound NameN-hydroxy-6-naphthalen-2-ylsulfonylhexanamide
PubChem CID25242564
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-hydroxy-6-naphthalen-2-ylsulfonylhexanamide
SMILESO=C(CCCCCS(=O)(=O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C16H19NO4S/c18-16(17-19)8-2-1-5-11-22(20,21)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,19H,1-2,5,8,11H2,(H,17,18)
InChIKeyUZFXWCRUNXMVJF-UHFFFAOYSA-N
XLogP2.68
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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 N-hydroxy-6-naphthalen-2-ylsulfonylhexanamide?
The IUPAC name of N-hydroxy-6-naphthalen-2-ylsulfonylhexanamide (CID 25242564) is N-hydroxy-6-naphthalen-2-ylsulfonylhexanamide.
What is the SMILES notation for N-hydroxy-6-naphthalen-2-ylsulfonylhexanamide?
The canonical SMILES for N-hydroxy-6-naphthalen-2-ylsulfonylhexanamide is O=C(CCCCCS(=O)(=O)c1ccc2ccccc2c1)NO.
What is the InChIKey of N-hydroxy-6-naphthalen-2-ylsulfonylhexanamide?
The InChIKey is UZFXWCRUNXMVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c18-16(17-19)8-2-1-5-11-22(20,21)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,19H,1-2,5,8,11H2,(H,17,18).
What are the key properties of N-hydroxy-6-naphthalen-2-ylsulfonylhexanamide?
N-hydroxy-6-naphthalen-2-ylsulfonylhexanamide has a molecular weight of 321.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-naphthalen-2-ylsulfonylhexanamide is sourced from PubChem (CID 25242564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).