5-amino-N-tert-butylnaphthalene-1-sulfonamide

C14H18N2O2S — CID 2824998

IUPAC5-amino-N-tert-butylnaphthalene-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc2c(N)cccc12
InChIInChI=1S/C14H18N2O2S/c1-14(2,3)16-19(17,18)13-9-5-6-10-11(13)7-4-8-12(10)15/h4-9,16H,15H2,1-3H3
InChIKeyWGWDIJFUUXSXMA-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.50
Rot. Bonds2

About 5-amino-N-tert-butylnaphthalene-1-sulfonamide

5-amino-N-tert-butylnaphthalene-1-sulfonamide (PubChem CID 2824998) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-amino-N-tert-butylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-tert-butylnaphthalene-1-sulfonamide
PubChem CID2824998
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name5-amino-N-tert-butylnaphthalene-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc2c(N)cccc12
InChIInChI=1S/C14H18N2O2S/c1-14(2,3)16-19(17,18)13-9-5-6-10-11(13)7-4-8-12(10)15/h4-9,16H,15H2,1-3H3
InChIKeyWGWDIJFUUXSXMA-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-tert-butylnaphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-tert-butylnaphthalene-1-sulfonamide?
The IUPAC name of 5-amino-N-tert-butylnaphthalene-1-sulfonamide (CID 2824998) is 5-amino-N-tert-butylnaphthalene-1-sulfonamide.
What is the SMILES notation for 5-amino-N-tert-butylnaphthalene-1-sulfonamide?
The canonical SMILES for 5-amino-N-tert-butylnaphthalene-1-sulfonamide is CC(C)(C)NS(=O)(=O)c1cccc2c(N)cccc12.
What is the InChIKey of 5-amino-N-tert-butylnaphthalene-1-sulfonamide?
The InChIKey is WGWDIJFUUXSXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-14(2,3)16-19(17,18)13-9-5-6-10-11(13)7-4-8-12(10)15/h4-9,16H,15H2,1-3H3.
What are the key properties of 5-amino-N-tert-butylnaphthalene-1-sulfonamide?
5-amino-N-tert-butylnaphthalene-1-sulfonamide has a molecular weight of 278.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-tert-butylnaphthalene-1-sulfonamide is sourced from PubChem (CID 2824998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).