N-benzyl-4-hydroxynaphthalene-1-sulfonamide

C17H15NO3S — CID 57096004

IUPACN-benzyl-4-hydroxynaphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(O)c2ccccc12
InChIInChI=1S/C17H15NO3S/c19-16-10-11-17(15-9-5-4-8-14(15)16)22(20,21)18-12-13-6-2-1-3-7-13/h1-11,18-19H,12H2
InChIKeyQACURLVUCSPCEP-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.02
Rot. Bonds4

About N-benzyl-4-hydroxynaphthalene-1-sulfonamide

N-benzyl-4-hydroxynaphthalene-1-sulfonamide (PubChem CID 57096004) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-benzyl-4-hydroxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-benzyl-4-hydroxynaphthalene-1-sulfonamide
PubChem CID57096004
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC NameN-benzyl-4-hydroxynaphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(O)c2ccccc12
InChIInChI=1S/C17H15NO3S/c19-16-10-11-17(15-9-5-4-8-14(15)16)22(20,21)18-12-13-6-2-1-3-7-13/h1-11,18-19H,12H2
InChIKeyQACURLVUCSPCEP-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-hydroxynaphthalene-1-sulfonamide
CID 10171893
N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide
CID 10149841
2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid
CID 19694547
4-hydroxynaphthalene-1-sulfonic acid;phenylmethanamine
CID 173118162
N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 106900408
4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
CID 67120728
N-benzyl-3-oxo-2-thiatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene-9-sulfonamide
CID 7573626
N-[(3-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241692
N-benzyl-2-hydrazinylbenzenesulfonamide
CID 43454886
5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 69048106
N-benzyl-2-(ethylamino)benzenesulfonamide
CID 62148548

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydroxynaphthalene-1-sulfonamide?
The IUPAC name of N-benzyl-4-hydroxynaphthalene-1-sulfonamide (CID 57096004) is N-benzyl-4-hydroxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-benzyl-4-hydroxynaphthalene-1-sulfonamide?
The canonical SMILES for N-benzyl-4-hydroxynaphthalene-1-sulfonamide is O=S(=O)(NCc1ccccc1)c1ccc(O)c2ccccc12.
What is the InChIKey of N-benzyl-4-hydroxynaphthalene-1-sulfonamide?
The InChIKey is QACURLVUCSPCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c19-16-10-11-17(15-9-5-4-8-14(15)16)22(20,21)18-12-13-6-2-1-3-7-13/h1-11,18-19H,12H2.
What are the key properties of N-benzyl-4-hydroxynaphthalene-1-sulfonamide?
N-benzyl-4-hydroxynaphthalene-1-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydroxynaphthalene-1-sulfonamide is sourced from PubChem (CID 57096004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).