3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide

C15H11F3N2O3S — CID 47066381

IUPAC3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O3S/c1-23-11-5-6-14(13(8-11)15(16,17)18)20-24(21,22)12-4-2-3-10(7-12)9-19/h2-8,20H,1H3
InChIKeyULGOEDBYFRQDNC-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.39
Rot. Bonds4

About 3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide

3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 47066381) has the molecular formula C15H11F3N2O3S and a molecular weight of 356.33 g/mol. Its IUPAC name is 3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID47066381
Molecular FormulaC15H11F3N2O3S
Molecular Weight356.33 g/mol
Exact Mass356.04
IUPAC Name3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O3S/c1-23-11-5-6-14(13(8-11)15(16,17)18)20-24(21,22)12-4-2-3-10(7-12)9-19/h2-8,20H,1H3
InChIKeyULGOEDBYFRQDNC-UHFFFAOYSA-N
XLogP3.39
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide
CID 170407735
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
3-cyano-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 7938488
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide
CID 80970330
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 64591216

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 47066381) is 3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(C(F)(F)F)c1.
What is the InChIKey of 3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is ULGOEDBYFRQDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3S/c1-23-11-5-6-14(13(8-11)15(16,17)18)20-24(21,22)12-4-2-3-10(7-12)9-19/h2-8,20H,1H3.
What are the key properties of 3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide?
3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 356.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 47066381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).