N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide

C20H16F3N5O2S — CID 24765699

IUPACN-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1-c1cnc2ccnn2c1N
InChIInChI=1S/C20H16F3N5O2S/c1-12-9-14(27-31(29,30)15-4-2-3-13(10-15)20(21,22)23)5-6-16(12)17-11-25-18-7-8-26-28(18)19(17)24/h2-11,27H,24H2,1H3
InChIKeyCDLIAUNVHGHEKT-UHFFFAOYSA-N
MW447.44 g/mol
LogP4.11
Rot. Bonds4

About N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 24765699) has the molecular formula C20H16F3N5O2S and a molecular weight of 447.44 g/mol. Its IUPAC name is N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID24765699
Molecular FormulaC20H16F3N5O2S
Molecular Weight447.44 g/mol
Exact Mass447.10
IUPAC NameN-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1-c1cnc2ccnn2c1N
InChIInChI=1S/C20H16F3N5O2S/c1-12-9-14(27-31(29,30)15-4-2-3-13(10-15)20(21,22)23)5-6-16(12)17-11-25-18-7-8-26-28(18)19(17)24/h2-11,27H,24H2,1H3
InChIKeyCDLIAUNVHGHEKT-UHFFFAOYSA-N
XLogP4.11
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide
CID 24765894
N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide
CID 24765791
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 25420136
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3851411
ethyl 7-[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24969483
N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2824424
3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 56651283
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 141108251
N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121072899

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 24765699) is N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1-c1cnc2ccnn2c1N.
What is the InChIKey of N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CDLIAUNVHGHEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2S/c1-12-9-14(27-31(29,30)15-4-2-3-13(10-15)20(21,22)23)5-6-16(12)17-11-25-18-7-8-26-28(18)19(17)24/h2-11,27H,24H2,1H3.
What are the key properties of N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 447.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24765699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).