N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide

C19H18F3N5O2S — CID 133317467

IUPACN,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C19H18F3N5O2S/c1-27(2)30(28,29)15-5-3-13(4-6-15)12-24-17-11-16(19(20,21)22)25-18(26-17)14-7-9-23-10-8-14/h3-11H,12H2,1-2H3,(H,24,25,26)
InChIKeyXEQYILTWUJVFSW-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.42
Rot. Bonds6

About N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide

N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide (PubChem CID 133317467) has the molecular formula C19H18F3N5O2S and a molecular weight of 437.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
PubChem CID133317467
Molecular FormulaC19H18F3N5O2S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC NameN,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C19H18F3N5O2S/c1-27(2)30(28,29)15-5-3-13(4-6-15)12-24-17-11-16(19(20,21)22)25-18(26-17)14-7-9-23-10-8-14/h3-11H,12H2,1-2H3,(H,24,25,26)
InChIKeyXEQYILTWUJVFSW-UHFFFAOYSA-N
XLogP3.42
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383
N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133318334
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133385618
N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133497972
N,N-dimethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60721671
2,6-difluoro-N-[2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 133352853
6-N-[2-(dimethylamino)ethyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112880717
4-N-[(4-methylphenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563927
N-cyclopent-3-en-1-yl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133362287
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133314842
4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 91760625

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide (CID 133317467) is N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(CNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide?
The InChIKey is XEQYILTWUJVFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2S/c1-27(2)30(28,29)15-5-3-13(4-6-15)12-24-17-11-16(19(20,21)22)25-18(26-17)14-7-9-23-10-8-14/h3-11H,12H2,1-2H3,(H,24,25,26).
What are the key properties of N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide?
N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide has a molecular weight of 437.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 133317467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).