8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide

C13H11ClN2O2S — CID 5178973

IUPAC8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide
SMILESN#CCCNS(=O)(=O)c1cccc2cccc(Cl)c12
InChIInChI=1S/C13H11ClN2O2S/c14-11-6-1-4-10-5-2-7-12(13(10)11)19(17,18)16-9-3-8-15/h1-2,4-7,16H,3,9H2
InChIKeyZIVAJKXHCWTAII-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.69
Rot. Bonds4

About 8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide

8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide (PubChem CID 5178973) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide
PubChem CID5178973
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide
SMILESN#CCCNS(=O)(=O)c1cccc2cccc(Cl)c12
InChIInChI=1S/C13H11ClN2O2S/c14-11-6-1-4-10-5-2-7-12(13(10)11)19(17,18)16-9-3-8-15/h1-2,4-7,16H,3,9H2
InChIKeyZIVAJKXHCWTAII-UHFFFAOYSA-N
XLogP2.69
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
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
ML-9 free base
CID 4217
N-(2-Aminoethyl)-5-chloronaphthalene-1-sulfonamide hydrochloride
CID 9861903
N-(4-Aminobutyl)-5-chloro-2-naphthalenesulfonamide
CID 4299
W-7 Hydrochloride
CID 124887
1-[(8-Chloro-1-naphthyl)sulfonyl]pyrrolidine
CID 621330
N-(2-Aminoethyl)-5-chloronaphthalene-1-sulfonamide
CID 1960
N-(6-Aminohexyl)-5-chloronaphthalene-2-sulfonamide
CID 4306
N-(n-Heptyl)-5-chloro-1-naphthalenesulfonamide
CID 5175
N-(4-aminobutyl)-5-chloronaphthalene-1-sulfonamide
CID 5680
N-(6-phenylhexyl)-5-chloro-1-naphthalenesulfonamide
CID 124172

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide?
The IUPAC name of 8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide (CID 5178973) is 8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide is N#CCCNS(=O)(=O)c1cccc2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide?
The InChIKey is ZIVAJKXHCWTAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-11-6-1-4-10-5-2-7-12(13(10)11)19(17,18)16-9-3-8-15/h1-2,4-7,16H,3,9H2.
What are the key properties of 8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide?
8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide has a molecular weight of 294.76 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 5178973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).