8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide

C17H11FN2O2S — CID 629814

IUPAC8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide
SMILESN#Cc1cccc2cccc(S(=O)(=O)Nc3ccc(F)cc3)c12
InChIInChI=1S/C17H11FN2O2S/c18-14-7-9-15(10-8-14)20-23(21,22)16-6-2-4-12-3-1-5-13(11-19)17(12)16/h1-10,20H
InChIKeyHCJLCALLFASDDV-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.65
Rot. Bonds3

About 8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide

8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide (PubChem CID 629814) has the molecular formula C17H11FN2O2S and a molecular weight of 326.35 g/mol. Its IUPAC name is 8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide
PubChem CID629814
Molecular FormulaC17H11FN2O2S
Molecular Weight326.35 g/mol
Exact Mass326.05
IUPAC Name8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide
SMILESN#Cc1cccc2cccc(S(=O)(=O)Nc3ccc(F)cc3)c12
InChIInChI=1S/C17H11FN2O2S/c18-14-7-9-15(10-8-14)20-23(21,22)16-6-2-4-12-3-1-5-13(11-19)17(12)16/h1-10,20H
InChIKeyHCJLCALLFASDDV-UHFFFAOYSA-N
XLogP3.65
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide?
The IUPAC name of 8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide (CID 629814) is 8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide?
The canonical SMILES for 8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide is N#Cc1cccc2cccc(S(=O)(=O)Nc3ccc(F)cc3)c12.
What is the InChIKey of 8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide?
The InChIKey is HCJLCALLFASDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2S/c18-14-7-9-15(10-8-14)20-23(21,22)16-6-2-4-12-3-1-5-13(11-19)17(12)16/h1-10,20H.
What are the key properties of 8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide?
8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide has a molecular weight of 326.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 629814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).