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

C15H9F6N5O2S — CID 90285840

IUPAC4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1-c1ccnc(C(F)(F)F)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F6N5O2S/c16-14(17,18)9-1-3-10(4-2-9)29(27,28)25-12-6-8-23-26(12)11-5-7-22-13(24-11)15(19,20)21/h1-8,25H
InChIKeyZNAJTUBTXSHDFS-UHFFFAOYSA-N
MW437.33 g/mol
LogP3.50
Rot. Bonds4

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

4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-3-yl]benzenesulfonamide (PubChem CID 90285840) has the molecular formula C15H9F6N5O2S and a molecular weight of 437.33 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-3-yl]benzenesulfonamide
PubChem CID90285840
Molecular FormulaC15H9F6N5O2S
Molecular Weight437.33 g/mol
Exact Mass437.04
IUPAC Name4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1-c1ccnc(C(F)(F)F)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F6N5O2S/c16-14(17,18)9-1-3-10(4-2-9)29(27,28)25-12-6-8-23-26(12)11-5-7-22-13(24-11)15(19,20)21/h1-8,25H
InChIKeyZNAJTUBTXSHDFS-UHFFFAOYSA-N
XLogP3.50
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 76685194
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 44621448
CID 44621449
CID 44621449
N-[2-(4-methylpyridin-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 90286007
4-[[[2-[[3-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 145900919
N-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 145974778
1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 969953
1-[(4-methylphenyl)sulfonyl]-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970935
4-[2-[[2-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide
CID 49790534
4-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-3-yl]benzenesulfonamide
CID 118716666
N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-3-fluoro-N-methylbenzenesulfonamide
CID 122188257
N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-4-fluoro-N-methylbenzenesulfonamide
CID 122188259

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-3-yl]benzenesulfonamide (CID 90285840) is 4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccnn1-c1ccnc(C(F)(F)F)n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-3-yl]benzenesulfonamide?
The InChIKey is ZNAJTUBTXSHDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N5O2S/c16-14(17,18)9-1-3-10(4-2-9)29(27,28)25-12-6-8-23-26(12)11-5-7-22-13(24-11)15(19,20)21/h1-8,25H.
What are the key properties of 4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-3-yl]benzenesulfonamide?
4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 437.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 90285840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).