5-amino-N-benzylnaphthalene-1-sulfonamide

C17H16N2O2S — CID 2825000

IUPAC5-amino-N-benzylnaphthalene-1-sulfonamide
SMILESNc1cccc2c(S(=O)(=O)NCc3ccccc3)cccc12
InChIInChI=1S/C17H16N2O2S/c18-16-10-4-9-15-14(16)8-5-11-17(15)22(20,21)19-12-13-6-2-1-3-7-13/h1-11,19H,12,18H2
InChIKeyYVNAAXWSEDLITQ-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.90
Rot. Bonds4

About 5-amino-N-benzylnaphthalene-1-sulfonamide

5-amino-N-benzylnaphthalene-1-sulfonamide (PubChem CID 2825000) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-amino-N-benzylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-benzylnaphthalene-1-sulfonamide
PubChem CID2825000
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name5-amino-N-benzylnaphthalene-1-sulfonamide
SMILESNc1cccc2c(S(=O)(=O)NCc3ccccc3)cccc12
InChIInChI=1S/C17H16N2O2S/c18-16-10-4-9-15-14(16)8-5-11-17(15)22(20,21)19-12-13-6-2-1-3-7-13/h1-11,19H,12,18H2
InChIKeyYVNAAXWSEDLITQ-UHFFFAOYSA-N
XLogP2.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzylnaphthalene-1-sulfonamide?
The IUPAC name of 5-amino-N-benzylnaphthalene-1-sulfonamide (CID 2825000) is 5-amino-N-benzylnaphthalene-1-sulfonamide.
What is the SMILES notation for 5-amino-N-benzylnaphthalene-1-sulfonamide?
The canonical SMILES for 5-amino-N-benzylnaphthalene-1-sulfonamide is Nc1cccc2c(S(=O)(=O)NCc3ccccc3)cccc12.
What is the InChIKey of 5-amino-N-benzylnaphthalene-1-sulfonamide?
The InChIKey is YVNAAXWSEDLITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c18-16-10-4-9-15-14(16)8-5-11-17(15)22(20,21)19-12-13-6-2-1-3-7-13/h1-11,19H,12,18H2.
What are the key properties of 5-amino-N-benzylnaphthalene-1-sulfonamide?
5-amino-N-benzylnaphthalene-1-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzylnaphthalene-1-sulfonamide is sourced from PubChem (CID 2825000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).