N-(4-hydroxynaphthalen-1-yl)methanesulfonamide

C11H11NO3S — CID 7574135

IUPACN-(4-hydroxynaphthalen-1-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(O)c2ccccc12
InChIInChI=1S/C11H11NO3S/c1-16(14,15)12-10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,12-13H,1H3
InChIKeyYIHVEMGCWOYDLG-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.92
Rot. Bonds2

About N-(4-hydroxynaphthalen-1-yl)methanesulfonamide

N-(4-hydroxynaphthalen-1-yl)methanesulfonamide (PubChem CID 7574135) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(4-hydroxynaphthalen-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxynaphthalen-1-yl)methanesulfonamide
PubChem CID7574135
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC NameN-(4-hydroxynaphthalen-1-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(O)c2ccccc12
InChIInChI=1S/C11H11NO3S/c1-16(14,15)12-10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,12-13H,1H3
InChIKeyYIHVEMGCWOYDLG-UHFFFAOYSA-N
XLogP1.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxynaphthalen-1-yl)methanesulfonamide?
The IUPAC name of N-(4-hydroxynaphthalen-1-yl)methanesulfonamide (CID 7574135) is N-(4-hydroxynaphthalen-1-yl)methanesulfonamide.
What is the SMILES notation for N-(4-hydroxynaphthalen-1-yl)methanesulfonamide?
The canonical SMILES for N-(4-hydroxynaphthalen-1-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc(O)c2ccccc12.
What is the InChIKey of N-(4-hydroxynaphthalen-1-yl)methanesulfonamide?
The InChIKey is YIHVEMGCWOYDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-16(14,15)12-10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,12-13H,1H3.
What are the key properties of N-(4-hydroxynaphthalen-1-yl)methanesulfonamide?
N-(4-hydroxynaphthalen-1-yl)methanesulfonamide has a molecular weight of 237.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxynaphthalen-1-yl)methanesulfonamide is sourced from PubChem (CID 7574135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).