methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate

C17H16N2O6S — CID 126460552

IUPACmethyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate
SMILESCOC(=O)CN1C(=O)COc2cc(S(=O)(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C17H16N2O6S/c1-24-17(21)10-19-14-8-7-13(9-15(14)25-11-16(19)20)26(22,23)18-12-5-3-2-4-6-12/h2-9,18H,10-11H2,1H3
InChIKeyUVFNSQXPMDWTNR-UHFFFAOYSA-N
MW376.39 g/mol
LogP1.39
Rot. Bonds5

About methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate

methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate (PubChem CID 126460552) has the molecular formula C17H16N2O6S and a molecular weight of 376.39 g/mol. Its IUPAC name is methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate
PubChem CID126460552
Molecular FormulaC17H16N2O6S
Molecular Weight376.39 g/mol
Exact Mass376.07
IUPAC Namemethyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate
SMILESCOC(=O)CN1C(=O)COc2cc(S(=O)(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C17H16N2O6S/c1-24-17(21)10-19-14-8-7-13(9-15(14)25-11-16(19)20)26(22,23)18-12-5-3-2-4-6-12/h2-9,18H,10-11H2,1H3
InChIKeyUVFNSQXPMDWTNR-UHFFFAOYSA-N
XLogP1.39
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-oxo-6-[(4-propan-2-yloxycarbonylphenyl)sulfamoyl]-1,4-benzoxazin-4-yl]acetic acid
CID 30766363
methyl 2-[6-(2,3-dihydroindol-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 20914076
2-[6-[(2-acetylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 30766313
methyl 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 3154550
2-[6-[(3-chloro-4-methylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 30766221
methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate
CID 20917528
methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 26434581
2-[6-[(2-fluoro-4-methylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 30766281
N-[2-(4-methylphenyl)ethyl]-2-[3-oxo-7-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide
CID 126459616
N-[4-[[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]sulfamoyl]phenyl]acetamide
CID 3231773
N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide
CID 20914837
4-benzyl-3-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,4-benzoxazine-7-carboxamide
CID 139779674

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate?
The IUPAC name of methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate (CID 126460552) is methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate.
What is the SMILES notation for methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate?
The canonical SMILES for methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate is COC(=O)CN1C(=O)COc2cc(S(=O)(=O)Nc3ccccc3)ccc21.
What is the InChIKey of methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate?
The InChIKey is UVFNSQXPMDWTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O6S/c1-24-17(21)10-19-14-8-7-13(9-15(14)25-11-16(19)20)26(22,23)18-12-5-3-2-4-6-12/h2-9,18H,10-11H2,1H3.
What are the key properties of methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate?
methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate has a molecular weight of 376.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate is sourced from PubChem (CID 126460552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).