6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium

C16H22ClN2O2S+ — CID 6993606

IUPAC6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium
SMILES[NH3+]CCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2/p+1
InChIKeyIDEHCMNLNCJQST-UHFFFAOYSA-O
MW341.88 g/mol
LogP2.57
Rot. Bonds8

About 6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium

6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium (PubChem CID 6993606) has the molecular formula C16H22ClN2O2S+ and a molecular weight of 341.88 g/mol. Its IUPAC name is 6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium.

Molecular Properties

Compound Name6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium
PubChem CID6993606
Molecular FormulaC16H22ClN2O2S+
Molecular Weight341.88 g/mol
Exact Mass341.11
IUPAC Name6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium
SMILES[NH3+]CCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2/p+1
InChIKeyIDEHCMNLNCJQST-UHFFFAOYSA-O
XLogP2.57
TPSA73.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide
CID 5681
1H-1,4-Diazepine, 1-((5-chloro-1-naphthalenyl)sulfonyl)hexahydro-, monohydrochloride
CID 108047
W-7 Hydrochloride
CID 124887
N-(2-Aminoethyl)-5-chloronaphthalene-1-sulfonamide hydrochloride
CID 9861903
ML-9 free base
CID 4217
N-(4-Aminobutyl)-5-chloro-2-naphthalenesulfonamide
CID 4299
1-[(8-Chloro-1-naphthyl)sulfonyl]pyrrolidine
CID 621330
1-(4-Chloronaphthalen-1-yl)sulfonylpyrrolidine
CID 1085519
N-(2-Aminoethyl)-5-chloronaphthalene-1-sulfonamide
CID 1960
N-(6-Aminohexyl)-5-chloronaphthalene-2-sulfonamide
CID 4306
N-(6-Aminohexyl)-1-naphthalenesulfonamide
CID 4314
N-(n-Heptyl)-5-chloro-1-naphthalenesulfonamide
CID 5175

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium?
The IUPAC name of 6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium (CID 6993606) is 6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium.
What is the SMILES notation for 6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium?
The canonical SMILES for 6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium is [NH3+]CCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12.
What is the InChIKey of 6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium?
The InChIKey is IDEHCMNLNCJQST-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2/p+1.
What are the key properties of 6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium?
6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium has a molecular weight of 341.88 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium is sourced from PubChem (CID 6993606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).