2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C27H21F3N4O4S — CID 178065150

IUPAC2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2c(C)nn3c(Oc4ccccc4)ccnc23)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H21F3N4O4S/c1-17-25(26-31-15-14-24(34(26)32-17)38-21-6-4-3-5-7-21)18-8-13-22(37-2)23(16-18)39(35,36)33-20-11-9-19(10-12-20)27(28,29)30/h3-16,33H,1-2H3
InChIKeyAFRRJEMPWCWMAR-UHFFFAOYSA-N
MW554.55 g/mol
LogP6.33
Rot. Bonds7

About 2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 178065150) has the molecular formula C27H21F3N4O4S and a molecular weight of 554.55 g/mol. Its IUPAC name is 2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID178065150
Molecular FormulaC27H21F3N4O4S
Molecular Weight554.55 g/mol
Exact Mass554.12
IUPAC Name2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2c(C)nn3c(Oc4ccccc4)ccnc23)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H21F3N4O4S/c1-17-25(26-31-15-14-24(34(26)32-17)38-21-6-4-3-5-7-21)18-8-13-22(37-2)23(16-18)39(35,36)33-20-11-9-19(10-12-20)27(28,29)30/h3-16,33H,1-2H3
InChIKeyAFRRJEMPWCWMAR-UHFFFAOYSA-N
XLogP6.33
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.55
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N,N-dimethyl-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzenesulfonamide
CID 178065149
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
5-[2-(cycloheptylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 89493822
2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide
CID 56684295
5-bromo-2-methoxy-N-[4-[3-propan-2-yloxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide
CID 83274862
2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098161
5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide
CID 46394970
5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 850108
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 122311965
2-methoxy-5-[4-(4-methylbenzoyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 129231611

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 178065150) is 2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccc(-c2c(C)nn3c(Oc4ccccc4)ccnc23)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is AFRRJEMPWCWMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N4O4S/c1-17-25(26-31-15-14-24(34(26)32-17)38-21-6-4-3-5-7-21)18-8-13-22(37-2)23(16-18)39(35,36)33-20-11-9-19(10-12-20)27(28,29)30/h3-16,33H,1-2H3.
What are the key properties of 2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 554.55 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 178065150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).