N,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide

C15H15F3N2O3S — CID 89134174

IUPACN,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide
SMILESC=C1C=CC(S(=O)(=O)N(C)C)=CN1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O3S/c1-11-4-9-14(24(21,22)19(2)3)10-20(11)12-5-7-13(8-6-12)23-15(16,17)18/h4-10H,1H2,2-3H3
InChIKeyATVAMGGHKAXBJE-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.21
Rot. Bonds4

About N,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide

N,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide (PubChem CID 89134174) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is N,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide
PubChem CID89134174
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC NameN,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide
SMILESC=C1C=CC(S(=O)(=O)N(C)C)=CN1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O3S/c1-11-4-9-14(24(21,22)19(2)3)10-20(11)12-5-7-13(8-6-12)23-15(16,17)18/h4-10H,1H2,2-3H3
InChIKeyATVAMGGHKAXBJE-UHFFFAOYSA-N
XLogP3.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole
CID 89134204
[3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol
CID 89134226
N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide
CID 57337680
N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
CID 55103943
4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one
CID 171061640
N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168967
N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 17154292
N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154273
N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline
CID 174736613
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 3488603
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 4280881
1-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-one
CID 90883042

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide (CID 89134174) is N,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide is C=C1C=CC(S(=O)(=O)N(C)C)=CN1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide?
The InChIKey is ATVAMGGHKAXBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c1-11-4-9-14(24(21,22)19(2)3)10-20(11)12-5-7-13(8-6-12)23-15(16,17)18/h4-10H,1H2,2-3H3.
What are the key properties of N,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide?
N,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide has a molecular weight of 360.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 89134174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).