[(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate

C17H13ClN2O6S — CID 98150042

IUPAC[(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate
SMILESNS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)O[C@H]2OC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H13ClN2O6S/c18-13-14(20-11-6-8-12(9-7-11)27(19,23)24)17(26-16(13)22)25-15(21)10-4-2-1-3-5-10/h1-9,17,20H,(H2,19,23,24)/t17-/m1/s1
InChIKeyOKXXSUJEIZAFIP-QGZVFWFLSA-N
MW408.82 g/mol
LogP1.94
Rot. Bonds5

About [(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate

[(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate (PubChem CID 98150042) has the molecular formula C17H13ClN2O6S and a molecular weight of 408.82 g/mol. Its IUPAC name is [(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate.

Molecular Properties

Compound Name[(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate
PubChem CID98150042
Molecular FormulaC17H13ClN2O6S
Molecular Weight408.82 g/mol
Exact Mass408.02
IUPAC Name[(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate
SMILESNS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)O[C@H]2OC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H13ClN2O6S/c18-13-14(20-11-6-8-12(9-7-11)27(19,23)24)17(26-16(13)22)25-15(21)10-4-2-1-3-5-10/h1-9,17,20H,(H2,19,23,24)/t17-/m1/s1
InChIKeyOKXXSUJEIZAFIP-QGZVFWFLSA-N
XLogP1.94
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.82
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate?
The IUPAC name of [(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate (CID 98150042) is [(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate.
What is the SMILES notation for [(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate?
The canonical SMILES for [(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate is NS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)O[C@H]2OC(=O)c2ccccc2)cc1.
What is the InChIKey of [(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate?
The InChIKey is OKXXSUJEIZAFIP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H13ClN2O6S/c18-13-14(20-11-6-8-12(9-7-11)27(19,23)24)17(26-16(13)22)25-15(21)10-4-2-1-3-5-10/h1-9,17,20H,(H2,19,23,24)/t17-/m1/s1.
What are the key properties of [(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate?
[(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate has a molecular weight of 408.82 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate is sourced from PubChem (CID 98150042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).