methyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate

C16H14N4O4S — CID 2165246

IUPACmethyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H14N4O4S/c1-24-16(21)18-11-6-8-12(9-7-11)25(22,23)20-15-10-17-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyVIKZNAHTYAIAPS-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.61
Rot. Bonds4

About methyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate

methyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate (PubChem CID 2165246) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is methyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate
PubChem CID2165246
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC Namemethyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H14N4O4S/c1-24-16(21)18-11-6-8-12(9-7-11)25(22,23)20-15-10-17-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyVIKZNAHTYAIAPS-UHFFFAOYSA-N
XLogP2.61
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate (CID 2165246) is methyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1.
What is the InChIKey of methyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate?
The InChIKey is VIKZNAHTYAIAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-24-16(21)18-11-6-8-12(9-7-11)25(22,23)20-15-10-17-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,18,21)(H,19,20).
What are the key properties of methyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate?
methyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate has a molecular weight of 358.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate is sourced from PubChem (CID 2165246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).