N-(6-aminohexyl)naphthalene-1-sulfonamide

C16H22N2O2S — CID 4314

IUPACN-(6-aminohexyl)naphthalene-1-sulfonamide
SMILESNCCCCCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H22N2O2S/c17-12-5-1-2-6-13-18-21(19,20)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11,18H,1-2,5-6,12-13,17H2
InChIKeyFVJRBJIENDRNBE-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.64
Rot. Bonds8

About N-(6-aminohexyl)naphthalene-1-sulfonamide

N-(6-aminohexyl)naphthalene-1-sulfonamide (PubChem CID 4314) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(6-aminohexyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(6-aminohexyl)naphthalene-1-sulfonamide
PubChem CID4314
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-(6-aminohexyl)naphthalene-1-sulfonamide
SMILESNCCCCCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H22N2O2S/c17-12-5-1-2-6-13-18-21(19,20)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11,18H,1-2,5-6,12-13,17H2
InChIKeyFVJRBJIENDRNBE-UHFFFAOYSA-N
XLogP2.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.64
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-(6-aminohexyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(6-aminohexyl)naphthalene-1-sulfonamide (CID 4314) is N-(6-aminohexyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(6-aminohexyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(6-aminohexyl)naphthalene-1-sulfonamide is NCCCCCCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(6-aminohexyl)naphthalene-1-sulfonamide?
The InChIKey is FVJRBJIENDRNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c17-12-5-1-2-6-13-18-21(19,20)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11,18H,1-2,5-6,12-13,17H2.
What are the key properties of N-(6-aminohexyl)naphthalene-1-sulfonamide?
N-(6-aminohexyl)naphthalene-1-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 4314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).