benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate

C19H17NO5S — CID 7765854

IUPACbenzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCc1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H17NO5S/c21-19(25-14-15-5-2-1-3-6-15)16-8-10-18(11-9-16)26(22,23)20-13-17-7-4-12-24-17/h1-12,20H,13-14H2
InChIKeyWUHHAARXAZJFKO-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.12
Rot. Bonds7

About benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate

benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 7765854) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Namebenzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID7765854
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Namebenzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCc1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H17NO5S/c21-19(25-14-15-5-2-1-3-6-15)16-8-10-18(11-9-16)26(22,23)20-13-17-7-4-12-24-17/h1-12,20H,13-14H2
InChIKeyWUHHAARXAZJFKO-UHFFFAOYSA-N
XLogP3.12
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyanophenyl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765848
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3970570
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2115625
(7-chloro-1,3-benzodioxol-5-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 55458749
[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663360
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2402315
(3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 41195143
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550215
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2418521
[2-(cyclohexylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401305
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16625051

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 7765854) is benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate is O=C(OCc1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is WUHHAARXAZJFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S/c21-19(25-14-15-5-2-1-3-6-15)16-8-10-18(11-9-16)26(22,23)20-13-17-7-4-12-24-17/h1-12,20H,13-14H2.
What are the key properties of benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 371.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 7765854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).