N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide

C17H16N2O3S — CID 10149841

IUPACN-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide
SMILESNc1cccc(CNS(=O)(=O)c2cccc3c(O)cccc23)c1
InChIInChI=1S/C17H16N2O3S/c18-13-5-1-4-12(10-13)11-19-23(21,22)17-9-3-6-14-15(17)7-2-8-16(14)20/h1-10,19-20H,11,18H2
InChIKeyKUFDCGGGLRDWBV-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.61
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide

N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide (PubChem CID 10149841) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide
PubChem CID10149841
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide
SMILESNc1cccc(CNS(=O)(=O)c2cccc3c(O)cccc23)c1
InChIInChI=1S/C17H16N2O3S/c18-13-5-1-4-12(10-13)11-19-23(21,22)17-9-3-6-14-15(17)7-2-8-16(14)20/h1-10,19-20H,11,18H2
InChIKeyKUFDCGGGLRDWBV-UHFFFAOYSA-N
XLogP2.61
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-5-hydroxynaphthalene-1-sulfonamide
CID 10171893
N-benzyl-4-hydroxynaphthalene-1-sulfonamide
CID 57096004
N-[(3-aminophenyl)methyl]-2-chlorobenzenesulfonamide
CID 43593530
N-[(3-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 75509038
5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide
CID 69046746
N-[(3-aminophenyl)methyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527253
N-[(3-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241692
N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide
CID 43593561
N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048670
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107212459
5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 61109676

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide (CID 10149841) is N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide is Nc1cccc(CNS(=O)(=O)c2cccc3c(O)cccc23)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide?
The InChIKey is KUFDCGGGLRDWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c18-13-5-1-4-12(10-13)11-19-23(21,22)17-9-3-6-14-15(17)7-2-8-16(14)20/h1-10,19-20H,11,18H2.
What are the key properties of N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide?
N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide is sourced from PubChem (CID 10149841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).