N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide

C20H15ClF3N5O2S — CID 24765791

IUPACN-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(-c2cnc3ccnn3c2N)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C20H15ClF3N5O2S/c1-11-8-12(14-10-26-18-6-7-27-29(18)19(14)25)2-5-16(11)28-32(30,31)17-9-13(20(22,23)24)3-4-15(17)21/h2-10,28H,25H2,1H3
InChIKeyVLABFQOQZDSDJB-UHFFFAOYSA-N
MW481.89 g/mol
LogP4.76
Rot. Bonds4

About N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide

N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 24765791) has the molecular formula C20H15ClF3N5O2S and a molecular weight of 481.89 g/mol. Its IUPAC name is N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide
PubChem CID24765791
Molecular FormulaC20H15ClF3N5O2S
Molecular Weight481.89 g/mol
Exact Mass481.06
IUPAC NameN-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(-c2cnc3ccnn3c2N)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C20H15ClF3N5O2S/c1-11-8-12(14-10-26-18-6-7-27-29(18)19(14)25)2-5-16(11)28-32(30,31)17-9-13(20(22,23)24)3-4-15(17)21/h2-10,28H,25H2,1H3
InChIKeyVLABFQOQZDSDJB-UHFFFAOYSA-N
XLogP4.76
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.89
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide (CID 24765791) is N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide is Cc1cc(-c2cnc3ccnn3c2N)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VLABFQOQZDSDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N5O2S/c1-11-8-12(14-10-26-18-6-7-27-29(18)19(14)25)2-5-16(11)28-32(30,31)17-9-13(20(22,23)24)3-4-15(17)21/h2-10,28H,25H2,1H3.
What are the key properties of N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide?
N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 481.89 g/mol, XLogP of 4.76, 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)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24765791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).