2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide

C22H27N5O3S — CID 98066095

IUPAC2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide
SMILESCc1cc2nccc(C3CCC(CNC(=O)c4ccccc4NS(C)(=O)=O)CC3)n2n1
InChIInChI=1S/C22H27N5O3S/c1-15-13-21-23-12-11-20(27(21)25-15)17-9-7-16(8-10-17)14-24-22(28)18-5-3-4-6-19(18)26-31(2,29)30/h3-6,11-13,16-17,26H,7-10,14H2,1-2H3,(H,24,28)
InChIKeySUFWGCIVYSQMGO-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.11
Rot. Bonds6

About 2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide

2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide (PubChem CID 98066095) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide
PubChem CID98066095
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC Name2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide
SMILESCc1cc2nccc(C3CCC(CNC(=O)c4ccccc4NS(C)(=O)=O)CC3)n2n1
InChIInChI=1S/C22H27N5O3S/c1-15-13-21-23-12-11-20(27(21)25-15)17-9-7-16(8-10-17)14-24-22(28)18-5-3-4-6-19(18)26-31(2,29)30/h3-6,11-13,16-17,26H,7-10,14H2,1-2H3,(H,24,28)
InChIKeySUFWGCIVYSQMGO-UHFFFAOYSA-N
XLogP3.11
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide?
The IUPAC name of 2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide (CID 98066095) is 2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide is Cc1cc2nccc(C3CCC(CNC(=O)c4ccccc4NS(C)(=O)=O)CC3)n2n1.
What is the InChIKey of 2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide?
The InChIKey is SUFWGCIVYSQMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-15-13-21-23-12-11-20(27(21)25-15)17-9-7-16(8-10-17)14-24-22(28)18-5-3-4-6-19(18)26-31(2,29)30/h3-6,11-13,16-17,26H,7-10,14H2,1-2H3,(H,24,28).
What are the key properties of 2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide?
2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide has a molecular weight of 441.56 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 98066095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).