N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide

C14H17ClN2O2S — CID 120583360

IUPACN-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide
SMILESNCCCCNS(=O)(=O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H17ClN2O2S/c15-13-7-8-14(12-6-2-1-5-11(12)13)20(18,19)17-10-4-3-9-16/h1-2,5-8,17H,3-4,9-10,16H2
InChIKeyKWDGDUNBIIATOZ-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.51
Rot. Bonds6

About N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide

N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide (PubChem CID 120583360) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide
PubChem CID120583360
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC NameN-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide
SMILESNCCCCNS(=O)(=O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H17ClN2O2S/c15-13-7-8-14(12-6-2-1-5-11(12)13)20(18,19)17-10-4-3-9-16/h1-2,5-8,17H,3-4,9-10,16H2
InChIKeyKWDGDUNBIIATOZ-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.51
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)-4-chloronaphthalene-1-sulfonamide;hydrochloride
CID 120583359
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247
N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
N-(4-aminobutyl)-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120713472
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride
CID 119994715
N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
CID 120583800
N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride
CID 120583388
N'-[(5-chloronaphthalen-1-yl)sulfonylmethyl]butane-1,4-diamine
CID 23891607
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide
CID 56955991
N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide?
The IUPAC name of N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide (CID 120583360) is N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide.
What is the SMILES notation for N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide?
The canonical SMILES for N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide is NCCCCNS(=O)(=O)c1ccc(Cl)c2ccccc12.
What is the InChIKey of N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide?
The InChIKey is KWDGDUNBIIATOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c15-13-7-8-14(12-6-2-1-5-11(12)13)20(18,19)17-10-4-3-9-16/h1-2,5-8,17H,3-4,9-10,16H2.
What are the key properties of N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide?
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide has a molecular weight of 312.82 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide is sourced from PubChem (CID 120583360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).