6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride

C16H22Cl2N2O2S — CID 2735339

IUPAC6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride
SMILES[Cl-].[NH3+]CCCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C16H21ClN2O2S.ClH/c17-16-7-5-6-13-12-14(8-9-15(13)16)22(20,21)19-11-4-2-1-3-10-18;/h5-9,12,19H,1-4,10-11,18H2;1H
InChIKeyFGWDLQXTCSKXSK-UHFFFAOYSA-N
MW377.34 g/mol
LogP-0.42
Rot. Bonds8

About 6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride

6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride (PubChem CID 2735339) has the molecular formula C16H22Cl2N2O2S and a molecular weight of 377.34 g/mol. Its IUPAC name is 6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride.

Molecular Properties

Compound Name6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride
PubChem CID2735339
Molecular FormulaC16H22Cl2N2O2S
Molecular Weight377.34 g/mol
Exact Mass376.08
IUPAC Name6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride
SMILES[Cl-].[NH3+]CCCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C16H21ClN2O2S.ClH/c17-16-7-5-6-13-12-14(8-9-15(13)16)22(20,21)19-11-4-2-1-3-10-18;/h5-9,12,19H,1-4,10-11,18H2;1H
InChIKeyFGWDLQXTCSKXSK-UHFFFAOYSA-N
XLogP-0.42
TPSA73.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 5-0.42
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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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride?
The IUPAC name of 6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride (CID 2735339) is 6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride.
What is the SMILES notation for 6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride?
The canonical SMILES for 6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride is [Cl-].[NH3+]CCCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1.
What is the InChIKey of 6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride?
The InChIKey is FGWDLQXTCSKXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S.ClH/c17-16-7-5-6-13-12-14(8-9-15(13)16)22(20,21)19-11-4-2-1-3-10-18;/h5-9,12,19H,1-4,10-11,18H2;1H.
What are the key properties of 6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride?
6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride has a molecular weight of 377.34 g/mol, XLogP of -0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride is sourced from PubChem (CID 2735339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).