N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride

C16H23ClN2O2S — CID 50987005

IUPACN-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
SMILESNCCCCCCNS(=O)(=O)c1cccc2ccccc12.[Cl-].[H+]
InChIInChI=1S/C16H22N2O2S.ClH/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;1H
InChIKeyHOCSVIGHWPLMFC-UHFFFAOYSA-N
MW342.89 g/mol
LogP-0.25
Rot. Bonds8

About N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride

N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride (PubChem CID 50987005) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride.

Molecular Properties

Compound NameN-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
PubChem CID50987005
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC NameN-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
SMILESNCCCCCCNS(=O)(=O)c1cccc2ccccc12.[Cl-].[H+]
InChIInChI=1S/C16H22N2O2S.ClH/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;1H
InChIKeyHOCSVIGHWPLMFC-UHFFFAOYSA-N
XLogP-0.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 5-0.25
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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Related Compounds

N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709
N-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide
CID 58260289
N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide
CID 120583360
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide;hydrochloride
CID 120583359
N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide
CID 22719674
4-(naphthalen-1-ylsulfonylamino)butanimidamide
CID 114795765
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride?
The IUPAC name of N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride (CID 50987005) is N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride.
What is the SMILES notation for N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride?
The canonical SMILES for N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride is NCCCCCCNS(=O)(=O)c1cccc2ccccc12.[Cl-].[H+].
What is the InChIKey of N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride?
The InChIKey is HOCSVIGHWPLMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S.ClH/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;1H.
What are the key properties of N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride?
N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride has a molecular weight of 342.89 g/mol, XLogP of -0.25, 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;hydron;chloride is sourced from PubChem (CID 50987005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).