2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide

C19H17N3O5S — CID 142699802

IUPAC2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)ccc2O)cn1
InChIInChI=1S/C19H17N3O5S/c1-12-10-21-18(11-20-12)22-19(24)16-9-14(5-8-17(16)23)27-13-3-6-15(7-4-13)28(2,25)26/h3-11,23H,1-2H3,(H,21,22,24)
InChIKeyHEXSXOJAPGBYKU-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.94
Rot. Bonds5

About 2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide

2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide (PubChem CID 142699802) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide
PubChem CID142699802
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)ccc2O)cn1
InChIInChI=1S/C19H17N3O5S/c1-12-10-21-18(11-20-12)22-19(24)16-9-14(5-8-17(16)23)27-13-3-6-15(7-4-13)28(2,25)26/h3-11,23H,1-2H3,(H,21,22,24)
InChIKeyHEXSXOJAPGBYKU-UHFFFAOYSA-N
XLogP2.94
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 90665737
N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide
CID 73350645
2-ethyl-N-(5-methylpyrazin-2-yl)-4-(4-sulfamoylphenoxy)indazole-6-carboxamide
CID 58574099
3-(4-cyclopropylsulfonylphenoxy)-5-(3-methylbut-2-enoxy)-N-(5-methylpyrazin-2-yl)benzamide
CID 70683488
N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 16583790
N-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 61292977
4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
CID 71457592
2-hydroxy-4-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 155988762
2-ethyl-N-(5-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 59559979
N-(5-bromo-2-pyridinyl)-4-methylsulfonylbenzamide
CID 60650971
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
N-[5-[[ethoxy(methyl)phosphoryl]methyl]pyrazin-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzamide
CID 58266122

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide?
The IUPAC name of 2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide (CID 142699802) is 2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide.
What is the SMILES notation for 2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide?
The canonical SMILES for 2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide is Cc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)ccc2O)cn1.
What is the InChIKey of 2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide?
The InChIKey is HEXSXOJAPGBYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-12-10-21-18(11-20-12)22-19(24)16-9-14(5-8-17(16)23)27-13-3-6-15(7-4-13)28(2,25)26/h3-11,23H,1-2H3,(H,21,22,24).
What are the key properties of 2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide?
2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide has a molecular weight of 399.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(5-methylpyrazin-2-yl)-5-(4-methylsulfonylphenoxy)benzamide is sourced from PubChem (CID 142699802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).