N-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide

C14H11FN2O2S — CID 155663443

IUPACN-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C#N)c2ccccc2F)cc1
InChIInChI=1S/C14H11FN2O2S/c1-11-6-8-12(9-7-11)20(18,19)17(10-16)14-5-3-2-4-13(14)15/h2-9H,1H3
InChIKeyGXMBUTXUJCLWBZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.81
Rot. Bonds3

About N-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide

N-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 155663443) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is N-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide
PubChem CID155663443
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC NameN-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C#N)c2ccccc2F)cc1
InChIInChI=1S/C14H11FN2O2S/c1-11-6-8-12(9-7-11)20(18,19)17(10-16)14-5-3-2-4-13(14)15/h2-9H,1H3
InChIKeyGXMBUTXUJCLWBZ-UHFFFAOYSA-N
XLogP2.81
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide (CID 155663443) is N-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C#N)c2ccccc2F)cc1.
What is the InChIKey of N-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is GXMBUTXUJCLWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c1-11-6-8-12(9-7-11)20(18,19)17(10-16)14-5-3-2-4-13(14)15/h2-9H,1H3.
What are the key properties of N-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide?
N-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 290.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 155663443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).