N,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide

C22H20F3N5O2S — CID 58662283

IUPACN,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide
SMILESCc1cc2nc(-c3ccccc3C(F)(F)F)cc(Nc3ccc(S(=O)(=O)N(C)C)cc3)n2n1
InChIInChI=1S/C22H20F3N5O2S/c1-14-12-20-27-19(17-6-4-5-7-18(17)22(23,24)25)13-21(30(20)28-14)26-15-8-10-16(11-9-15)33(31,32)29(2)3/h4-13,26H,1-3H3
InChIKeySISXLVRMMGLVSW-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.72
Rot. Bonds5

About N,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide

N,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide (PubChem CID 58662283) has the molecular formula C22H20F3N5O2S and a molecular weight of 475.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide
PubChem CID58662283
Molecular FormulaC22H20F3N5O2S
Molecular Weight475.50 g/mol
Exact Mass475.13
IUPAC NameN,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide
SMILESCc1cc2nc(-c3ccccc3C(F)(F)F)cc(Nc3ccc(S(=O)(=O)N(C)C)cc3)n2n1
InChIInChI=1S/C22H20F3N5O2S/c1-14-12-20-27-19(17-6-4-5-7-18(17)22(23,24)25)13-21(30(20)28-14)26-15-8-10-16(11-9-15)33(31,32)29(2)3/h4-13,26H,1-3H3
InChIKeySISXLVRMMGLVSW-UHFFFAOYSA-N
XLogP4.72
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide (CID 58662283) is N,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide is Cc1cc2nc(-c3ccccc3C(F)(F)F)cc(Nc3ccc(S(=O)(=O)N(C)C)cc3)n2n1.
What is the InChIKey of N,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide?
The InChIKey is SISXLVRMMGLVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2S/c1-14-12-20-27-19(17-6-4-5-7-18(17)22(23,24)25)13-21(30(20)28-14)26-15-8-10-16(11-9-15)33(31,32)29(2)3/h4-13,26H,1-3H3.
What are the key properties of N,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide?
N,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide has a molecular weight of 475.50 g/mol, XLogP of 4.72, 5 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-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide is sourced from PubChem (CID 58662283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).