N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide

C18H25IN2O2S — CID 4307

IUPACN-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide
SMILESNCCCCCCCCNS(=O)(=O)c1cccc2c(I)cccc12
InChIInChI=1S/C18H25IN2O2S/c19-17-11-7-10-16-15(17)9-8-12-18(16)24(22,23)21-14-6-4-2-1-3-5-13-20/h7-12,21H,1-6,13-14,20H2
InChIKeyZMISJCLJPKVFEL-UHFFFAOYSA-N
MW460.38 g/mol
LogP4.02
Rot. Bonds10

About N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide

N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide (PubChem CID 4307) has the molecular formula C18H25IN2O2S and a molecular weight of 460.38 g/mol. Its IUPAC name is N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide
PubChem CID4307
Molecular FormulaC18H25IN2O2S
Molecular Weight460.38 g/mol
Exact Mass460.07
IUPAC NameN-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide
SMILESNCCCCCCCCNS(=O)(=O)c1cccc2c(I)cccc12
InChIInChI=1S/C18H25IN2O2S/c19-17-11-7-10-16-15(17)9-8-12-18(16)24(22,23)21-14-6-4-2-1-3-5-13-20/h7-12,21H,1-6,13-14,20H2
InChIKeyZMISJCLJPKVFEL-UHFFFAOYSA-N
XLogP4.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide?
The IUPAC name of N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide (CID 4307) is N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide.
What is the SMILES notation for N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide?
The canonical SMILES for N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide is NCCCCCCCCNS(=O)(=O)c1cccc2c(I)cccc12.
What is the InChIKey of N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide?
The InChIKey is ZMISJCLJPKVFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25IN2O2S/c19-17-11-7-10-16-15(17)9-8-12-18(16)24(22,23)21-14-6-4-2-1-3-5-13-20/h7-12,21H,1-6,13-14,20H2.
What are the key properties of N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide?
N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide has a molecular weight of 460.38 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide is sourced from PubChem (CID 4307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).