2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide

C14H19FN2O3S — CID 71911254

IUPAC2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCOC(C)(C)CC(C)NS(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C14H19FN2O3S/c1-10(8-14(2,3)20-4)17-21(18,19)13-7-5-6-12(15)11(13)9-16/h5-7,10,17H,8H2,1-4H3
InChIKeyYOXIDAFITSFSIA-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.18
Rot. Bonds6

About 2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide

2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 71911254) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide
PubChem CID71911254
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCOC(C)(C)CC(C)NS(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C14H19FN2O3S/c1-10(8-14(2,3)20-4)17-21(18,19)13-7-5-6-12(15)11(13)9-16/h5-7,10,17H,8H2,1-4H3
InChIKeyYOXIDAFITSFSIA-UHFFFAOYSA-N
XLogP2.18
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide (CID 71911254) is 2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide is COC(C)(C)CC(C)NS(=O)(=O)c1cccc(F)c1C#N.
What is the InChIKey of 2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is YOXIDAFITSFSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-10(8-14(2,3)20-4)17-21(18,19)13-7-5-6-12(15)11(13)9-16/h5-7,10,17H,8H2,1-4H3.
What are the key properties of 2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide?
2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 314.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 71911254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).