5-amino-N-pentylnaphthalene-1-sulfonamide

C15H20N2O2S — CID 2824999

IUPAC5-amino-N-pentylnaphthalene-1-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cccc2c(N)cccc12
InChIInChI=1S/C15H20N2O2S/c1-2-3-4-11-17-20(18,19)15-10-6-7-12-13(15)8-5-9-14(12)16/h5-10,17H,2-4,11,16H2,1H3
InChIKeyIRAZXJOYAGVDND-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.89
Rot. Bonds6

About 5-amino-N-pentylnaphthalene-1-sulfonamide

5-amino-N-pentylnaphthalene-1-sulfonamide (PubChem CID 2824999) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-amino-N-pentylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-pentylnaphthalene-1-sulfonamide
PubChem CID2824999
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name5-amino-N-pentylnaphthalene-1-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cccc2c(N)cccc12
InChIInChI=1S/C15H20N2O2S/c1-2-3-4-11-17-20(18,19)15-10-6-7-12-13(15)8-5-9-14(12)16/h5-10,17H,2-4,11,16H2,1H3
InChIKeyIRAZXJOYAGVDND-UHFFFAOYSA-N
XLogP2.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-pentylnaphthalene-1-sulfonamide?
The IUPAC name of 5-amino-N-pentylnaphthalene-1-sulfonamide (CID 2824999) is 5-amino-N-pentylnaphthalene-1-sulfonamide.
What is the SMILES notation for 5-amino-N-pentylnaphthalene-1-sulfonamide?
The canonical SMILES for 5-amino-N-pentylnaphthalene-1-sulfonamide is CCCCCNS(=O)(=O)c1cccc2c(N)cccc12.
What is the InChIKey of 5-amino-N-pentylnaphthalene-1-sulfonamide?
The InChIKey is IRAZXJOYAGVDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-3-4-11-17-20(18,19)15-10-6-7-12-13(15)8-5-9-14(12)16/h5-10,17H,2-4,11,16H2,1H3.
What are the key properties of 5-amino-N-pentylnaphthalene-1-sulfonamide?
5-amino-N-pentylnaphthalene-1-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-pentylnaphthalene-1-sulfonamide is sourced from PubChem (CID 2824999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).