4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride

C14H16ClF3N6O2S — CID 177052267

IUPAC4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride
SMILESCn1cc(-c2nc(NC3CCN(S(=O)(=O)Cl)CC3)ncc2C(F)(F)F)cn1
InChIInChI=1S/C14H16ClF3N6O2S/c1-23-8-9(6-20-23)12-11(14(16,17)18)7-19-13(22-12)21-10-2-4-24(5-3-10)27(15,25)26/h6-8,10H,2-5H2,1H3,(H,19,21,22)
InChIKeyFVLKTPCENSTHNQ-UHFFFAOYSA-N
MW424.84 g/mol
LogP2.26
Rot. Bonds4

About 4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride

4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride (PubChem CID 177052267) has the molecular formula C14H16ClF3N6O2S and a molecular weight of 424.84 g/mol. Its IUPAC name is 4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride
PubChem CID177052267
Molecular FormulaC14H16ClF3N6O2S
Molecular Weight424.84 g/mol
Exact Mass424.07
IUPAC Name4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride
SMILESCn1cc(-c2nc(NC3CCN(S(=O)(=O)Cl)CC3)ncc2C(F)(F)F)cn1
InChIInChI=1S/C14H16ClF3N6O2S/c1-23-8-9(6-20-23)12-11(14(16,17)18)7-19-13(22-12)21-10-2-4-24(5-3-10)27(15,25)26/h6-8,10H,2-5H2,1H3,(H,19,21,22)
InChIKeyFVLKTPCENSTHNQ-UHFFFAOYSA-N
XLogP2.26
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 170952471
N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 171469069
N-(1-ethylsulfonylpiperidin-4-yl)-4-[1-[2-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 155688715
2-methyl-1-[5-[2-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophen-2-yl]propan-2-ol
CID 174231776
N-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]-4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 171598582
N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine
CID 171468969
tert-butyl 4-[[4-[1-(4-methoxycyclohexyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 155688640
N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 171468876
5'-methyl-2'-[2-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]spiro[cyclopentane-1,6'-thieno[2,3-c]pyrrole]-4'-one
CID 169025839
N-[1-[2-(chloromethyl)-3-methylimidazol-4-yl]sulfanylpiperidin-4-yl]-4-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine;ethane
CID 170639653
N-ethyl-5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 169183740
4-(2-cyclopentyloxy-1,3-thiazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 169183670

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride?
The IUPAC name of 4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride (CID 177052267) is 4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride.
What is the SMILES notation for 4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride?
The canonical SMILES for 4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride is Cn1cc(-c2nc(NC3CCN(S(=O)(=O)Cl)CC3)ncc2C(F)(F)F)cn1.
What is the InChIKey of 4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride?
The InChIKey is FVLKTPCENSTHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N6O2S/c1-23-8-9(6-20-23)12-11(14(16,17)18)7-19-13(22-12)21-10-2-4-24(5-3-10)27(15,25)26/h6-8,10H,2-5H2,1H3,(H,19,21,22).
What are the key properties of 4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride?
4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride has a molecular weight of 424.84 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride is sourced from PubChem (CID 177052267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).