2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid

C13H13NO5S — CID 60780500

IUPAC2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C13H13NO5S/c15-12(16)9-20(17,18)14-13(11-7-4-8-19-11)10-5-2-1-3-6-10/h1-8,13-14H,9H2,(H,15,16)
InChIKeyDFETZARYJYWIIY-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.37
Rot. Bonds6

About 2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid

2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid (PubChem CID 60780500) has the molecular formula C13H13NO5S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid
PubChem CID60780500
Molecular FormulaC13H13NO5S
Molecular Weight295.32 g/mol
Exact Mass295.05
IUPAC Name2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C13H13NO5S/c15-12(16)9-20(17,18)14-13(11-7-4-8-19-11)10-5-2-1-3-6-10/h1-8,13-14H,9H2,(H,15,16)
InChIKeyDFETZARYJYWIIY-UHFFFAOYSA-N
XLogP1.37
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid
CID 107862097
[furan-2-yl(phenyl)methyl]urea
CID 14906081
5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid
CID 60708135
2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide
CID 102675958
3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide
CID 60780331
5-[[(S)-furan-2-yl(phenyl)methyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 94553211
N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629529
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
(2R)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 8756342
2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid
CID 65055569
3-[[furan-2-yl(phenyl)methyl]amino]butanamide
CID 115573315
(2R)-N-carbamoyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755898

Frequently Asked Questions

What is the IUPAC name of 2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid (CID 60780500) is 2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NC(c1ccccc1)c1ccco1.
What is the InChIKey of 2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid?
The InChIKey is DFETZARYJYWIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S/c15-12(16)9-20(17,18)14-13(11-7-4-8-19-11)10-5-2-1-3-6-10/h1-8,13-14H,9H2,(H,15,16).
What are the key properties of 2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid?
2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid has a molecular weight of 295.32 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid is sourced from PubChem (CID 60780500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).