N-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide

C21H18F2N4O2S — CID 46394915

IUPACN-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(C)n2ncc(-c3ccc(C)c(S(=O)(=O)Nc4ccc(F)cc4F)c3)c2n1
InChIInChI=1S/C21H18F2N4O2S/c1-12-4-5-15(17-11-24-27-14(3)8-13(2)25-21(17)27)9-20(12)30(28,29)26-19-7-6-16(22)10-18(19)23/h4-11,26H,1-3H3
InChIKeyUFAFKNBPNUKQBJ-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.40
Rot. Bonds4

About N-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide

N-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide (PubChem CID 46394915) has the molecular formula C21H18F2N4O2S and a molecular weight of 428.46 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
PubChem CID46394915
Molecular FormulaC21H18F2N4O2S
Molecular Weight428.46 g/mol
Exact Mass428.11
IUPAC NameN-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(C)n2ncc(-c3ccc(C)c(S(=O)(=O)Nc4ccc(F)cc4F)c3)c2n1
InChIInChI=1S/C21H18F2N4O2S/c1-12-4-5-15(17-11-24-27-14(3)8-13(2)25-21(17)27)9-20(12)30(28,29)26-19-7-6-16(22)10-18(19)23/h4-11,26H,1-3H3
InChIKeyUFAFKNBPNUKQBJ-UHFFFAOYSA-N
XLogP4.40
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 46394920
N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide
CID 50838835
5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide
CID 46394970
N-[(3,4-diethoxyphenyl)methyl]-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 50838627
N-(2-chloro-6-methylphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide
CID 46394961
5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 46394947
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(5-amino-2,4-difluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43550936
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 20935537

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide (CID 46394915) is N-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide is Cc1cc(C)n2ncc(-c3ccc(C)c(S(=O)(=O)Nc4ccc(F)cc4F)c3)c2n1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide?
The InChIKey is UFAFKNBPNUKQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2S/c1-12-4-5-15(17-11-24-27-14(3)8-13(2)25-21(17)27)9-20(12)30(28,29)26-19-7-6-16(22)10-18(19)23/h4-11,26H,1-3H3.
What are the key properties of N-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide?
N-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide has a molecular weight of 428.46 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 46394915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).