N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide

C14H15F3N4O2S — CID 91967753

IUPACN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)c1nccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H15F3N4O2S/c1-21(2)13-18-7-6-11(20-13)9-19-24(22,23)12-5-3-4-10(8-12)14(15,16)17/h3-8,19H,9H2,1-2H3
InChIKeyHOIMATVYIVAXEJ-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.04
Rot. Bonds5

About N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 91967753) has the molecular formula C14H15F3N4O2S and a molecular weight of 360.36 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID91967753
Molecular FormulaC14H15F3N4O2S
Molecular Weight360.36 g/mol
Exact Mass360.09
IUPAC NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)c1nccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H15F3N4O2S/c1-21(2)13-18-7-6-11(20-13)9-19-24(22,23)12-5-3-4-10(8-12)14(15,16)17/h3-8,19H,9H2,1-2H3
InChIKeyHOIMATVYIVAXEJ-UHFFFAOYSA-N
XLogP2.04
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 91967754
N-[(6-bromo-2-pyridinyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145433996
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91967327
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide
CID 91967734
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 91967732
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545917
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 122354453
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90555805
3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 81259080
N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3780840
N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 91967753) is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide is CN(C)c1nccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HOIMATVYIVAXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2S/c1-21(2)13-18-7-6-11(20-13)9-19-24(22,23)12-5-3-4-10(8-12)14(15,16)17/h3-8,19H,9H2,1-2H3.
What are the key properties of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 360.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 91967753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).