ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate

C16H14N2O6S — CID 94109831

IUPACethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C16H14N2O6S/c1-2-23-15(19)11-5-3-4-6-12(11)18-25(21,22)10-7-8-13-14(9-10)24-16(20)17-13/h3-9,18H,2H2,1H3,(H,17,20)
InChIKeyWVYIDCCWFVJVDL-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.10
Rot. Bonds5

About ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate

ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate (PubChem CID 94109831) has the molecular formula C16H14N2O6S and a molecular weight of 362.36 g/mol. Its IUPAC name is ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
PubChem CID94109831
Molecular FormulaC16H14N2O6S
Molecular Weight362.36 g/mol
Exact Mass362.06
IUPAC Nameethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C16H14N2O6S/c1-2-23-15(19)11-5-3-4-6-12(11)18-25(21,22)10-7-8-13-14(9-10)24-16(20)17-13/h3-9,18H,2H2,1H3,(H,17,20)
InChIKeyWVYIDCCWFVJVDL-UHFFFAOYSA-N
XLogP2.10
TPSA118.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide
CID 46680428
ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate
CID 108782911
ethyl 2-[(4-bromo-3-methylphenyl)sulfonylamino]benzoate
CID 2696978
ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84563272
ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate
CID 26969690
N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760726
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 43018778
ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate
CID 56558807
N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 43069476
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate
CID 126458941
2-[4-hydroxy-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetic acid
CID 108783001

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate?
The IUPAC name of ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate (CID 94109831) is ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate is CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate?
The InChIKey is WVYIDCCWFVJVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S/c1-2-23-15(19)11-5-3-4-6-12(11)18-25(21,22)10-7-8-13-14(9-10)24-16(20)17-13/h3-9,18H,2H2,1H3,(H,17,20).
What are the key properties of ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate?
ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate has a molecular weight of 362.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate is sourced from PubChem (CID 94109831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).