N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide

C16H21ClN2O2S — CID 5681

IUPACN-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide
SMILESNCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
InChIKeyIDEHCMNLNCJQST-UHFFFAOYSA-N
MW340.88 g/mol
LogP3.29
Rot. Bonds8

About N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide

N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide (PubChem CID 5681) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide
PubChem CID5681
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC NameN-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide
SMILESNCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
InChIKeyIDEHCMNLNCJQST-UHFFFAOYSA-N
XLogP3.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 53.29
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

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)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
N-(n-Heptyl)-5-chloro-1-naphthalenesulfonamide
CID 5175
N-(4-aminobutyl)-5-chloronaphthalene-1-sulfonamide
CID 5680

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide?
The IUPAC name of N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide (CID 5681) is N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide.
What is the SMILES notation for N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide?
The canonical SMILES for N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide is NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12.
What is the InChIKey of N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide?
The InChIKey is IDEHCMNLNCJQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2.
What are the key properties of N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide?
N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide has a molecular weight of 340.88 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide is sourced from PubChem (CID 5681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).