N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride

C14H18Cl2N2O2S — CID 16760706

IUPACN-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride
SMILESCl.NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C14H17ClN2O2S.ClH/c15-14-5-3-4-11-10-12(6-7-13(11)14)20(18,19)17-9-2-1-8-16;/h3-7,10,17H,1-2,8-9,16H2;1H
InChIKeyQKAALLVQBOLELJ-UHFFFAOYSA-N
MW349.28 g/mol
LogP2.93
Rot. Bonds6

About N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride

N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride (PubChem CID 16760706) has the molecular formula C14H18Cl2N2O2S and a molecular weight of 349.28 g/mol. Its IUPAC name is N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride
PubChem CID16760706
Molecular FormulaC14H18Cl2N2O2S
Molecular Weight349.28 g/mol
Exact Mass348.05
IUPAC NameN-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride
SMILESCl.NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C14H17ClN2O2S.ClH/c15-14-5-3-4-11-10-12(6-7-13(11)14)20(18,19)17-9-2-1-8-16;/h3-7,10,17H,1-2,8-9,16H2;1H
InChIKeyQKAALLVQBOLELJ-UHFFFAOYSA-N
XLogP2.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 52.93
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-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride?
The IUPAC name of N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride (CID 16760706) is N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride is Cl.NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1.
What is the InChIKey of N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride?
The InChIKey is QKAALLVQBOLELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S.ClH/c15-14-5-3-4-11-10-12(6-7-13(11)14)20(18,19)17-9-2-1-8-16;/h3-7,10,17H,1-2,8-9,16H2;1H.
What are the key properties of N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride?
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride has a molecular weight of 349.28 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 16760706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).