N-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide

C14H14F3N3O2S — CID 175909578

IUPACN-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide
SMILESCN(c1ccccc1Nc1ccncc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C14H14F3N3O2S/c1-20(23(2,21)22)13-6-4-3-5-12(13)19-11-7-8-18-9-10(11)14(15,16)17/h3-9H,1-2H3,(H,18,19)
InChIKeyYVACOKXXDSVUBO-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.24
Rot. Bonds4

About N-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide

N-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide (PubChem CID 175909578) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide
PubChem CID175909578
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC NameN-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide
SMILESCN(c1ccccc1Nc1ccncc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C14H14F3N3O2S/c1-20(23(2,21)22)13-6-4-3-5-12(13)19-11-7-8-18-9-10(11)14(15,16)17/h3-9H,1-2H3,(H,18,19)
InChIKeyYVACOKXXDSVUBO-UHFFFAOYSA-N
XLogP3.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 155291177
2-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 27001436
N-methyl-4-[[4-[[2-[methyl(methylsulfonyl)amino]anilino]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 171406336
N-methyl-N-[2-[[2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 169002215
1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760668
4-[[5-chloro-4-[2-[methyl(methylsulfonyl)amino]anilino]pyrimidin-2-yl]amino]benzoic acid
CID 168953985
N-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide
CID 155414964
N-[2-[[[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]phenyl]-N-methylmethanesulfonamide
CID 174107622
4-[[4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 164838198
3-[2-(trifluoromethyl)anilino]pyridine-4-carbothioamide
CID 114288045
ethane;N-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]-2-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 165067443
2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 166403944

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide (CID 175909578) is N-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide is CN(c1ccccc1Nc1ccncc1C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide?
The InChIKey is YVACOKXXDSVUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-20(23(2,21)22)13-6-4-3-5-12(13)19-11-7-8-18-9-10(11)14(15,16)17/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide?
N-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide has a molecular weight of 345.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 175909578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).