N-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide

C17H16N4O4S — CID 66764925

IUPACN-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide
SMILESCn1ccc(NC(=O)c2ccccc2Oc2ccc(S(C)(=O)=O)nc2)n1
InChIInChI=1S/C17H16N4O4S/c1-21-10-9-15(20-21)19-17(22)13-5-3-4-6-14(13)25-12-7-8-16(18-11-12)26(2,23)24/h3-11H,1-2H3,(H,19,20,22)
InChIKeyAEEUWXMRHUSUET-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.26
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide

N-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide (PubChem CID 66764925) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide
PubChem CID66764925
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide
SMILESCn1ccc(NC(=O)c2ccccc2Oc2ccc(S(C)(=O)=O)nc2)n1
InChIInChI=1S/C17H16N4O4S/c1-21-10-9-15(20-21)19-17(22)13-5-3-4-6-14(13)25-12-7-8-16(18-11-12)26(2,23)24/h3-11H,1-2H3,(H,19,20,22)
InChIKeyAEEUWXMRHUSUET-UHFFFAOYSA-N
XLogP2.26
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide (CID 66764925) is N-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide is Cn1ccc(NC(=O)c2ccccc2Oc2ccc(S(C)(=O)=O)nc2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide?
The InChIKey is AEEUWXMRHUSUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-21-10-9-15(20-21)19-17(22)13-5-3-4-6-14(13)25-12-7-8-16(18-11-12)26(2,23)24/h3-11H,1-2H3,(H,19,20,22).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide?
N-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide has a molecular weight of 372.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide is sourced from PubChem (CID 66764925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).