N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide

C15H19ClN2O2S — CID 4304

IUPACN-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide
SMILESNCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C15H19ClN2O2S/c16-14-8-4-7-13-12(14)6-5-9-15(13)21(19,20)18-11-3-1-2-10-17/h4-9,18H,1-3,10-11,17H2
InChIKeySYLYAVTWUBDUGM-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.90
Rot. Bonds7

About N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide

N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide (PubChem CID 4304) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide
PubChem CID4304
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC NameN-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide
SMILESNCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C15H19ClN2O2S/c16-14-8-4-7-13-12(14)6-5-9-15(13)21(19,20)18-11-3-1-2-10-17/h4-9,18H,1-3,10-11,17H2
InChIKeySYLYAVTWUBDUGM-UHFFFAOYSA-N
XLogP2.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.90
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-(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)sulfonyl-4-methylpiperazine
CID 671594
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

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide?
The IUPAC name of N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide (CID 4304) is N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide?
The canonical SMILES for N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide is NCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12.
What is the InChIKey of N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide?
The InChIKey is SYLYAVTWUBDUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c16-14-8-4-7-13-12(14)6-5-9-15(13)21(19,20)18-11-3-1-2-10-17/h4-9,18H,1-3,10-11,17H2.
What are the key properties of N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide?
N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide has a molecular weight of 326.85 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide is sourced from PubChem (CID 4304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).