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

C14H15F3N4O3S — CID 73168073

IUPACN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C)c1nccc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H15F3N4O3S/c1-21(2)13-18-8-7-10(20-13)9-19-25(22,23)12-5-3-11(4-6-12)24-14(15,16)17/h3-8,19H,9H2,1-2H3
InChIKeyPCLKSDDDWBWELW-UHFFFAOYSA-N
MW376.36 g/mol
LogP1.92
Rot. Bonds6

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

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 73168073) has the molecular formula C14H15F3N4O3S and a molecular weight of 376.36 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID73168073
Molecular FormulaC14H15F3N4O3S
Molecular Weight376.36 g/mol
Exact Mass376.08
IUPAC NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C)c1nccc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H15F3N4O3S/c1-21(2)13-18-8-7-10(20-13)9-19-25(22,23)12-5-3-11(4-6-12)24-14(15,16)17/h3-8,19H,9H2,1-2H3
InChIKeyPCLKSDDDWBWELW-UHFFFAOYSA-N
XLogP1.92
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 73168073) is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide is CN(C)c1nccc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is PCLKSDDDWBWELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3S/c1-21(2)13-18-8-7-10(20-13)9-19-25(22,23)12-5-3-11(4-6-12)24-14(15,16)17/h3-8,19H,9H2,1-2H3.
What are the key properties of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 376.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 73168073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).