N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide

C20H29ClN2O2S — CID 2735313

IUPACN-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide
SMILESNCCCCCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C20H29ClN2O2S/c21-19-13-9-12-18-17(19)11-10-14-20(18)26(24,25)23-16-8-6-4-2-1-3-5-7-15-22/h9-14,23H,1-8,15-16,22H2
InChIKeyJLUUJHIQVIXTGT-UHFFFAOYSA-N
MW396.98 g/mol
LogP4.85
Rot. Bonds12

About N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide

N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide (PubChem CID 2735313) has the molecular formula C20H29ClN2O2S and a molecular weight of 396.98 g/mol. Its IUPAC name is N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide
PubChem CID2735313
Molecular FormulaC20H29ClN2O2S
Molecular Weight396.98 g/mol
Exact Mass396.16
IUPAC NameN-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide
SMILESNCCCCCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C20H29ClN2O2S/c21-19-13-9-12-18-17(19)11-10-14-20(18)26(24,25)23-16-8-6-4-2-1-3-5-7-15-22/h9-14,23H,1-8,15-16,22H2
InChIKeyJLUUJHIQVIXTGT-UHFFFAOYSA-N
XLogP4.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.98
LogP ≤ 54.85
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)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

Frequently Asked Questions

What is the IUPAC name of N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide?
The IUPAC name of N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide (CID 2735313) is N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide.
What is the SMILES notation for N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide?
The canonical SMILES for N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide is NCCCCCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12.
What is the InChIKey of N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide?
The InChIKey is JLUUJHIQVIXTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2S/c21-19-13-9-12-18-17(19)11-10-14-20(18)26(24,25)23-16-8-6-4-2-1-3-5-7-15-22/h9-14,23H,1-8,15-16,22H2.
What are the key properties of N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide?
N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide has a molecular weight of 396.98 g/mol, XLogP of 4.85, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide is sourced from PubChem (CID 2735313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).