2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide

C15H13FN2O2S — CID 17410581

IUPAC2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C15H13FN2O2S/c1-2-18(14-9-7-13(16)8-10-14)21(19,20)15-6-4-3-5-12(15)11-17/h3-10H,2H2,1H3
InChIKeyWLJNFYOFQSLFAR-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.91
Rot. Bonds4

About 2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide

2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 17410581) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID17410581
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C15H13FN2O2S/c1-2-18(14-9-7-13(16)8-10-14)21(19,20)15-6-4-3-5-12(15)11-17/h3-10H,2H2,1H3
InChIKeyWLJNFYOFQSLFAR-UHFFFAOYSA-N
XLogP2.91
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide (CID 17410581) is 2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide is CCN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is WLJNFYOFQSLFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-2-18(14-9-7-13(16)8-10-14)21(19,20)15-6-4-3-5-12(15)11-17/h3-10H,2H2,1H3.
What are the key properties of 2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide?
2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 304.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 17410581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).