N-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide

C17H15F3N6O2S — CID 67348787

IUPACN-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2cc(Nc3ccc(C(F)(F)F)cn3)ncn2)c1
InChIInChI=1S/C17H15F3N6O2S/c1-21-29(27,28)13-4-2-3-12(7-13)25-15-8-16(24-10-23-15)26-14-6-5-11(9-22-14)17(18,19)20/h2-10,21H,1H3,(H2,22,23,24,25,26)
InChIKeyHDKFTQRXXMMAAN-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.29
Rot. Bonds6

About N-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide

N-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide (PubChem CID 67348787) has the molecular formula C17H15F3N6O2S and a molecular weight of 424.41 g/mol. Its IUPAC name is N-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide
PubChem CID67348787
Molecular FormulaC17H15F3N6O2S
Molecular Weight424.41 g/mol
Exact Mass424.09
IUPAC NameN-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2cc(Nc3ccc(C(F)(F)F)cn3)ncn2)c1
InChIInChI=1S/C17H15F3N6O2S/c1-21-29(27,28)13-4-2-3-12(7-13)25-15-8-16(24-10-23-15)26-14-6-5-11(9-22-14)17(18,19)20/h2-10,21H,1H3,(H2,22,23,24,25,26)
InChIKeyHDKFTQRXXMMAAN-UHFFFAOYSA-N
XLogP3.29
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

Sulfaperin
CID 68933
Urea deriv. 19
CID 5329825
Urea deriv. 20
CID 5329826
TG101209
CID 16722832
US10450297, Example 50
CID 57584772
4-((2-Amino-4-pyrimidinyl)amino)benzenesulfonamide
CID 31036
6-Bromo-13-thia-2,4,8,12,19-pentaazatricyclo[12.3.1.1~3,7~]nonadeca-1(18),3(19),4,6,14,16-hexaene 13,13-dioxide
CID 9952008
4-((4-(((1R,2R)-2-(dimethylamino)cyclopentyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-N-methylbenzenesulfonamide
CID 25920890
2-(3-(Trifluoromethyl)anilino)pyridine-3-Sulfonamide
CID 902072
Urea isostere 16
CID 5329822
1-(Phenylsulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 44237012
N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide
CID 67345149

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide?
The IUPAC name of N-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide (CID 67348787) is N-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide is CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccc(C(F)(F)F)cn3)ncn2)c1.
What is the InChIKey of N-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide?
The InChIKey is HDKFTQRXXMMAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2S/c1-21-29(27,28)13-4-2-3-12(7-13)25-15-8-16(24-10-23-15)26-14-6-5-11(9-22-14)17(18,19)20/h2-10,21H,1H3,(H2,22,23,24,25,26).
What are the key properties of N-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide?
N-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide has a molecular weight of 424.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 67348787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).