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

C22H22N4O4S — CID 178065149

IUPAC2-methoxy-N,N-dimethyl-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzenesulfonamide
SMILESCOc1ccc(-c2c(C)nn3c(Oc4ccccc4)ccnc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H22N4O4S/c1-15-21(16-10-11-18(29-4)19(14-16)31(27,28)25(2)3)22-23-13-12-20(26(22)24-15)30-17-8-6-5-7-9-17/h5-14H,1-4H3
InChIKeyBYMIDEATOMLTMG-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.76
Rot. Bonds6

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

2-methoxy-N,N-dimethyl-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzenesulfonamide (PubChem CID 178065149) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzenesulfonamide
PubChem CID178065149
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC Name2-methoxy-N,N-dimethyl-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzenesulfonamide
SMILESCOc1ccc(-c2c(C)nn3c(Oc4ccccc4)ccnc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H22N4O4S/c1-15-21(16-10-11-18(29-4)19(14-16)31(27,28)25(2)3)22-23-13-12-20(26(22)24-15)30-17-8-6-5-7-9-17/h5-14H,1-4H3
InChIKeyBYMIDEATOMLTMG-UHFFFAOYSA-N
XLogP3.76
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 178065150
3-(4-fluorophenyl)-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 56920623
3-(3-fluoro-4-methoxyphenyl)-2-methyl-N-[2-(3-methylsulfonylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 177379803
5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 15922038
N-(1,3-benzodioxol-5-ylmethyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 177379798
(8R)-3-(3,4-dimethoxyphenyl)-2-methyl-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 41003051
[5-formyl-3-[3-(2-hydroxyethylsulfonyl)-4-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[[3-(1-methylimidazol-2-yl)phenyl]methyl]carbamic acid
CID 139331716
5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole
CID 7467433
2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319
2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 1290640
3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 42647785
2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine
CID 123440790

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N,N-dimethyl-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzenesulfonamide (CID 178065149) is 2-methoxy-N,N-dimethyl-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,N-dimethyl-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzenesulfonamide is COc1ccc(-c2c(C)nn3c(Oc4ccccc4)ccnc23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzenesulfonamide?
The InChIKey is BYMIDEATOMLTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-15-21(16-10-11-18(29-4)19(14-16)31(27,28)25(2)3)22-23-13-12-20(26(22)24-15)30-17-8-6-5-7-9-17/h5-14H,1-4H3.
What are the key properties of 2-methoxy-N,N-dimethyl-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzenesulfonamide?
2-methoxy-N,N-dimethyl-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzenesulfonamide has a molecular weight of 438.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-5-(2-methyl-7-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 178065149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).