N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride

C14H17Cl2N2O2S- — CID 71296961

IUPACN-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride
SMILESNCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1.[Cl-]
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/p-1
InChIKeyQKAALLVQBOLELJ-UHFFFAOYSA-M
MW348.28 g/mol
LogP-0.49
Rot. Bonds6

About N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride

N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride (PubChem CID 71296961) has the molecular formula C14H17Cl2N2O2S- and a molecular weight of 348.28 g/mol. Its IUPAC name is N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride.

Molecular Properties

Compound NameN-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride
PubChem CID71296961
Molecular FormulaC14H17Cl2N2O2S-
Molecular Weight348.28 g/mol
Exact Mass347.04
IUPAC NameN-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride
SMILESNCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1.[Cl-]
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/p-1
InChIKeyQKAALLVQBOLELJ-UHFFFAOYSA-M
XLogP-0.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 5-0.49
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-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
CID 120583800
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide
CID 120583362
N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide
CID 54571729
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
CID 119962113
N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide
CID 120583360
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide;hydrochloride
CID 120583359
N-(4-aminobutyl)-3-ethylbenzenesulfonamide;hydrochloride
CID 120583777
N-(4-aminobutyl)-4-phenylbenzenesulfonamide
CID 11601917
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride?
The IUPAC name of N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride (CID 71296961) is N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride.
What is the SMILES notation for N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride?
The canonical SMILES for N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride is NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1.[Cl-].
What is the InChIKey of N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride?
The InChIKey is QKAALLVQBOLELJ-UHFFFAOYSA-M. 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/p-1.
What are the key properties of N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride?
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride has a molecular weight of 348.28 g/mol, XLogP of -0.49, 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 chloride is sourced from PubChem (CID 71296961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).