8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide

C12H9ClN2O2S — CID 25037675

IUPAC8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide
SMILESN#CCNS(=O)(=O)c1cccc2cccc(Cl)c12
InChIInChI=1S/C12H9ClN2O2S/c13-10-5-1-3-9-4-2-6-11(12(9)10)18(16,17)15-8-7-14/h1-6,15H,8H2
InChIKeyGCPOSRHJRROZOP-UHFFFAOYSA-N
MW280.74 g/mol
LogP2.30
Rot. Bonds3

About 8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide

8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide (PubChem CID 25037675) has the molecular formula C12H9ClN2O2S and a molecular weight of 280.74 g/mol. Its IUPAC name is 8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide
PubChem CID25037675
Molecular FormulaC12H9ClN2O2S
Molecular Weight280.74 g/mol
Exact Mass280.01
IUPAC Name8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide
SMILESN#CCNS(=O)(=O)c1cccc2cccc(Cl)c12
InChIInChI=1S/C12H9ClN2O2S/c13-10-5-1-3-9-4-2-6-11(12(9)10)18(16,17)15-8-7-14/h1-6,15H,8H2
InChIKeyGCPOSRHJRROZOP-UHFFFAOYSA-N
XLogP2.30
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide
CID 5178973
8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide
CID 25036817
8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide
CID 3840065
2-bromo-6-chloro-N-(cyanomethyl)benzenesulfonamide
CID 130505982
sodium 8-chloronaphthalene-1-sulfonate
CID 23667431
8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide
CID 3842166
8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide
CID 25047106
8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
CID 3868587
8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide
CID 25042460
3-(cyanomethylsulfamoyl)-2-methylbenzoic acid
CID 63743988
8-chloro-N-pyridin-2-ylnaphthalene-1-sulfonamide
CID 3810068
8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3709253

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide?
The IUPAC name of 8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide (CID 25037675) is 8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide is N#CCNS(=O)(=O)c1cccc2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide?
The InChIKey is GCPOSRHJRROZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2S/c13-10-5-1-3-9-4-2-6-11(12(9)10)18(16,17)15-8-7-14/h1-6,15H,8H2.
What are the key properties of 8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide?
8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide has a molecular weight of 280.74 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 25037675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).