methyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate

C19H17N3O4S — CID 162412632

IUPACmethyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cnc(NS(=O)(=O)c3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C19H17N3O4S/c1-13-3-9-16(10-4-13)27(24,25)22-18-12-20-17(11-21-18)14-5-7-15(8-6-14)19(23)26-2/h3-12H,1-2H3,(H,21,22)
InChIKeyZUMYNYYTUZDWGU-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.04
Rot. Bonds5

About methyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate

methyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate (PubChem CID 162412632) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is methyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate
PubChem CID162412632
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Namemethyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cnc(NS(=O)(=O)c3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C19H17N3O4S/c1-13-3-9-16(10-4-13)27(24,25)22-18-12-20-17(11-21-18)14-5-7-15(8-6-14)19(23)26-2/h3-12H,1-2H3,(H,21,22)
InChIKeyZUMYNYYTUZDWGU-UHFFFAOYSA-N
XLogP3.04
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-{[(phenylsulfonyl)(2-pyridinyl)amino]methyl}benzoate
CID 1352622
Ethyl 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoate
CID 3890303
Methyl 2-[4-[[[3-[(2-methylsulfonylacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 10456579
Methyl 4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzoate
CID 140885318
Methyl 4-[[2-(dimethylamino)-3-pyridinyl]methylsulfamoyl]benzoate
CID 39660457
4-{[4-(Pyridin-2-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid
CID 4918646
Ethyl 4-[[2-(dimethylamino)-3-pyridinyl]methylsulfamoyl]benzoate
CID 39660370
Methyl 3-[[2-(dimethylamino)-3-pyridinyl]methylsulfamoyl]benzoate
CID 39660509
3-[2-[4-(Pyridin-2-ylsulfamoyl)phenyl]ethynyl]benzoic acid
CID 56662701
3-[2-[4-(Pyridin-2-ylsulfamoyl)phenyl]ethyl]benzoic acid
CID 56673081
N-[3-(4-formylphenyl)pyrazin-2-yl]benzenesulfonamide
CID 126475231
methyl 4-[[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(4-methylphenyl)sulfonylamino]methyl]benzoate
CID 136498760

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate?
The IUPAC name of methyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate (CID 162412632) is methyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate?
The canonical SMILES for methyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate is COC(=O)c1ccc(-c2cnc(NS(=O)(=O)c3ccc(C)cc3)cn2)cc1.
What is the InChIKey of methyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate?
The InChIKey is ZUMYNYYTUZDWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-13-3-9-16(10-4-13)27(24,25)22-18-12-20-17(11-21-18)14-5-7-15(8-6-14)19(23)26-2/h3-12H,1-2H3,(H,21,22).
What are the key properties of methyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate?
methyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate has a molecular weight of 383.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[(4-methylphenyl)sulfonylamino]pyrazin-2-yl]benzoate is sourced from PubChem (CID 162412632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).