phenacyl 5-sulfamoylfuran-2-carboxylate

C13H11NO6S — CID 46426116

IUPACphenacyl 5-sulfamoylfuran-2-carboxylate
SMILESNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccccc2)o1
InChIInChI=1S/C13H11NO6S/c14-21(17,18)12-7-6-11(20-12)13(16)19-8-10(15)9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,17,18)
InChIKeyURDPPXHWOAWDNP-UHFFFAOYSA-N
MW309.30 g/mol
LogP0.97
Rot. Bonds5

About phenacyl 5-sulfamoylfuran-2-carboxylate

phenacyl 5-sulfamoylfuran-2-carboxylate (PubChem CID 46426116) has the molecular formula C13H11NO6S and a molecular weight of 309.30 g/mol. Its IUPAC name is phenacyl 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Namephenacyl 5-sulfamoylfuran-2-carboxylate
PubChem CID46426116
Molecular FormulaC13H11NO6S
Molecular Weight309.30 g/mol
Exact Mass309.03
IUPAC Namephenacyl 5-sulfamoylfuran-2-carboxylate
SMILESNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccccc2)o1
InChIInChI=1S/C13H11NO6S/c14-21(17,18)12-7-6-11(20-12)13(16)19-8-10(15)9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,17,18)
InChIKeyURDPPXHWOAWDNP-UHFFFAOYSA-N
XLogP0.97
TPSA116.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenacyl 5-nitrofuran-2-carboxylate
CID 804298
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643782
methyl 5-sulfamoylfuran-2-carboxylate
CID 3146896
[2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643937
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644024
(4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate
CID 46426101
(5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 47028405
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 55644091
[2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644085
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643961
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643963
phenacyl 4-aminobenzoate
CID 781350

Frequently Asked Questions

What is the IUPAC name of phenacyl 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of phenacyl 5-sulfamoylfuran-2-carboxylate (CID 46426116) is phenacyl 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for phenacyl 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for phenacyl 5-sulfamoylfuran-2-carboxylate is NS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccccc2)o1.
What is the InChIKey of phenacyl 5-sulfamoylfuran-2-carboxylate?
The InChIKey is URDPPXHWOAWDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO6S/c14-21(17,18)12-7-6-11(20-12)13(16)19-8-10(15)9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,17,18).
What are the key properties of phenacyl 5-sulfamoylfuran-2-carboxylate?
phenacyl 5-sulfamoylfuran-2-carboxylate has a molecular weight of 309.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 46426116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).