ethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate

C16H14N2O6S — CID 2538398

IUPACethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H14N2O6S/c1-2-23-15(19)10-3-5-11(6-4-10)18-25(21,22)12-7-8-14-13(9-12)17-16(20)24-14/h3-9,18H,2H2,1H3,(H,17,20)
InChIKeyGFERUJULPRBLAA-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.10
Rot. Bonds5

About ethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate

ethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate (PubChem CID 2538398) has the molecular formula C16H14N2O6S and a molecular weight of 362.36 g/mol. Its IUPAC name is ethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate
PubChem CID2538398
Molecular FormulaC16H14N2O6S
Molecular Weight362.36 g/mol
Exact Mass362.06
IUPAC Nameethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H14N2O6S/c1-2-23-15(19)10-3-5-11(6-4-10)18-25(21,22)12-7-8-14-13(9-12)17-16(20)24-14/h3-9,18H,2H2,1H3,(H,17,20)
InChIKeyGFERUJULPRBLAA-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

N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
4-{2-[4-(Pyrrolidine-1-sulfonyl)-phenoxy]-acetylamino}-benzoic acid ethyl ester
CID 1084214
4-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-benzoic acid
CID 1093447
4-[(3-Methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid ethyl ester
CID 1093449
Methyl4-[({4-[(tert-butylamino)sulfonyl]phenoxy}acetyl)amino]benzoate
CID 1211140
Ethyl 4-[({4-[(sec-butylamino)sulfonyl]phenoxy}acetyl)amino]benzoate
CID 2949620
2-Fluoro-N-{2-methoxy-5-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-phenyl}-benzamide
CID 6492368
N-(2-isopropoxy-5-morpholinosulfonyl-phenyl)-4-(2-ketopyrrolidino)benzamide
CID 24816860
4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide
CID 155534340
4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid methyl ester
CID 974155
Sdccgsbi-0660103.P001
CID 1093448
Ethyl4-[({4-[(tert-butylamino)sulfonyl]phenoxy}acetyl)amino]benzoate
CID 1211117

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate (CID 2538398) is ethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)cc1.
What is the InChIKey of ethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate?
The InChIKey is GFERUJULPRBLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S/c1-2-23-15(19)10-3-5-11(6-4-10)18-25(21,22)12-7-8-14-13(9-12)17-16(20)24-14/h3-9,18H,2H2,1H3,(H,17,20).
What are the key properties of ethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate?
ethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-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 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate is sourced from PubChem (CID 2538398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).