3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide

C11H11F3N2O2S — CID 61384532

IUPAC3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C11H11F3N2O2S/c1-16(6-5-11(12,13)14)19(17,18)10-4-2-3-9(7-10)8-15/h2-4,7H,5-6H2,1H3
InChIKeyABWOQKHGHCHKHY-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.13
Rot. Bonds4

About 3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide

3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 61384532) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID61384532
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Name3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C11H11F3N2O2S/c1-16(6-5-11(12,13)14)19(17,18)10-4-2-3-9(7-10)8-15/h2-4,7H,5-6H2,1H3
InChIKeyABWOQKHGHCHKHY-UHFFFAOYSA-N
XLogP2.13
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide
CID 62685886
3-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 47306005
3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]benzoic acid
CID 61384560
N-(3-amino-2,2-dimethylpropyl)-3-cyano-N-methylbenzenesulfonamide
CID 79652328
3-chloro-4-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 115591023
2-chloro-5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 80704425
3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384500
3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630767
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 9317045
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269699
3-cyano-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43429214

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 61384532) is 3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is CN(CCC(F)(F)F)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is ABWOQKHGHCHKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-16(6-5-11(12,13)14)19(17,18)10-4-2-3-9(7-10)8-15/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide has a molecular weight of 292.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 61384532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).