6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide

C15H14F2N4O4S — CID 139014653

IUPAC6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCOc1cc(OC(F)F)ccc1-c1cnc2c(S(N)(=O)=O)c(C)nn2c1
InChIInChI=1S/C15H14F2N4O4S/c1-8-13(26(18,22)23)14-19-6-9(7-21(14)20-8)11-4-3-10(25-15(16)17)5-12(11)24-2/h3-7,15H,1-2H3,(H2,18,22,23)
InChIKeyIYRFUOPULDFDRO-UHFFFAOYSA-N
MW384.36 g/mol
LogP1.96
Rot. Bonds5

About 6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide

6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide (PubChem CID 139014653) has the molecular formula C15H14F2N4O4S and a molecular weight of 384.36 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
PubChem CID139014653
Molecular FormulaC15H14F2N4O4S
Molecular Weight384.36 g/mol
Exact Mass384.07
IUPAC Name6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCOc1cc(OC(F)F)ccc1-c1cnc2c(S(N)(=O)=O)c(C)nn2c1
InChIInChI=1S/C15H14F2N4O4S/c1-8-13(26(18,22)23)14-19-6-9(7-21(14)20-8)11-4-3-10(25-15(16)17)5-12(11)24-2/h3-7,15H,1-2H3,(H2,18,22,23)
InChIKeyIYRFUOPULDFDRO-UHFFFAOYSA-N
XLogP1.96
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The IUPAC name of 6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide (CID 139014653) is 6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide.
What is the SMILES notation for 6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The canonical SMILES for 6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide is COc1cc(OC(F)F)ccc1-c1cnc2c(S(N)(=O)=O)c(C)nn2c1.
What is the InChIKey of 6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The InChIKey is IYRFUOPULDFDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O4S/c1-8-13(26(18,22)23)14-19-6-9(7-21(14)20-8)11-4-3-10(25-15(16)17)5-12(11)24-2/h3-7,15H,1-2H3,(H2,18,22,23).
What are the key properties of 6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide has a molecular weight of 384.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide is sourced from PubChem (CID 139014653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).