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

C16H15N3O5S — CID 2210444

IUPACethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H15N3O5S/c1-2-24-15(20)10-3-5-11(6-4-10)19-25(22,23)12-7-8-13-14(9-12)18-16(21)17-13/h3-9,19H,2H2,1H3,(H2,17,18,21)
InChIKeyZOJZDPRLQIFCHK-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.83
Rot. Bonds5

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

ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate (PubChem CID 2210444) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate
PubChem CID2210444
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Nameethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H15N3O5S/c1-2-24-15(20)10-3-5-11(6-4-10)19-25(22,23)12-7-8-13-14(9-12)18-16(21)17-13/h3-9,19H,2H2,1H3,(H2,17,18,21)
InChIKeyZOJZDPRLQIFCHK-UHFFFAOYSA-N
XLogP1.83
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate (CID 2210444) is ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate?
The InChIKey is ZOJZDPRLQIFCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-2-24-15(20)10-3-5-11(6-4-10)19-25(22,23)12-7-8-13-14(9-12)18-16(21)17-13/h3-9,19H,2H2,1H3,(H2,17,18,21).
What are the key properties of ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate?
ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate has a molecular weight of 361.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate is sourced from PubChem (CID 2210444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).