N-(4-aminobutyl)naphthalene-1-sulfonamide

C14H18N2O2S — CID 5679

IUPACN-(4-aminobutyl)naphthalene-1-sulfonamide
SMILESNCCCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H18N2O2S/c15-10-3-4-11-16-19(17,18)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,16H,3-4,10-11,15H2
InChIKeyLEHGLMYQOYJTCB-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.86
Rot. Bonds6

About N-(4-aminobutyl)naphthalene-1-sulfonamide

N-(4-aminobutyl)naphthalene-1-sulfonamide (PubChem CID 5679) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(4-aminobutyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)naphthalene-1-sulfonamide
PubChem CID5679
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(4-aminobutyl)naphthalene-1-sulfonamide
SMILESNCCCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H18N2O2S/c15-10-3-4-11-16-19(17,18)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,16H,3-4,10-11,15H2
InChIKeyLEHGLMYQOYJTCB-UHFFFAOYSA-N
XLogP1.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(4-aminobutyl)naphthalene-1-sulfonamide (CID 5679) is N-(4-aminobutyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(4-aminobutyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(4-aminobutyl)naphthalene-1-sulfonamide is NCCCCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(4-aminobutyl)naphthalene-1-sulfonamide?
The InChIKey is LEHGLMYQOYJTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c15-10-3-4-11-16-19(17,18)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,16H,3-4,10-11,15H2.
What are the key properties of N-(4-aminobutyl)naphthalene-1-sulfonamide?
N-(4-aminobutyl)naphthalene-1-sulfonamide has a molecular weight of 278.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 5679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).