N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide

C15H15F3N2O3S — CID 30028160

IUPACN,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1
InChIInChI=1S/C15H15F3N2O3S/c1-19(2)24(22,23)13-5-3-4-11(8-13)9-20-10-12(15(16,17)18)6-7-14(20)21/h3-8,10H,9H2,1-2H3
InChIKeyGEGCNQZBJPEKRE-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.17
Rot. Bonds4

About N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide

N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide (PubChem CID 30028160) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide
PubChem CID30028160
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC NameN,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1
InChIInChI=1S/C15H15F3N2O3S/c1-19(2)24(22,23)13-5-3-4-11(8-13)9-20-10-12(15(16,17)18)6-7-14(20)21/h3-8,10H,9H2,1-2H3
InChIKeyGEGCNQZBJPEKRE-UHFFFAOYSA-N
XLogP2.17
TPSA59.38 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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide
CID 38846412
S-(4-methylphenyl) 3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenecarbothioate
CID 2746482
3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide
CID 136572202
1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 46511196
3-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 47004137
1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 60673927
3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59836579
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 29430254
3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 136572192
3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 119923881
N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide
CID 27134749

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide (CID 30028160) is N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1.
What is the InChIKey of N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is GEGCNQZBJPEKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c1-19(2)24(22,23)13-5-3-4-11(8-13)9-20-10-12(15(16,17)18)6-7-14(20)21/h3-8,10H,9H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide?
N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 360.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 30028160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).