3-(furan-2-ylmethylsulfamoyl)benzoic acid

C12H11NO5S — CID 972732

IUPAC3-(furan-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C12H11NO5S/c14-12(15)9-3-1-5-11(7-9)19(16,17)13-8-10-4-2-6-18-10/h1-7,13H,8H2,(H,14,15)
InChIKeyWGFFBVJRQFLJBY-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.46
Rot. Bonds5

About 3-(furan-2-ylmethylsulfamoyl)benzoic acid

3-(furan-2-ylmethylsulfamoyl)benzoic acid (PubChem CID 972732) has the molecular formula C12H11NO5S and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfamoyl)benzoic acid
PubChem CID972732
Molecular FormulaC12H11NO5S
Molecular Weight281.29 g/mol
Exact Mass281.04
IUPAC Name3-(furan-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C12H11NO5S/c14-12(15)9-3-1-5-11(7-9)19(16,17)13-8-10-4-2-6-18-10/h1-7,13H,8H2,(H,14,15)
InChIKeyWGFFBVJRQFLJBY-UHFFFAOYSA-N
XLogP1.46
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide
CID 99803055
3-(furan-2-ylmethylsulfamoyl)-N,N-dipropylbenzamide
CID 109064446
N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25489711
3-(furan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 43006795
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313
N-(4-bromophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 2909226
N-(2-fluorophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639632
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 109064448
3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid
CID 67019525
3-(furan-2-ylmethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 35612745
3-[(2Z)-2-[1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 6303601
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 3-(furan-2-ylmethylsulfamoyl)benzoic acid (CID 972732) is 3-(furan-2-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(furan-2-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(furan-2-ylmethylsulfamoyl)benzoic acid is O=C(O)c1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 3-(furan-2-ylmethylsulfamoyl)benzoic acid?
The InChIKey is WGFFBVJRQFLJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5S/c14-12(15)9-3-1-5-11(7-9)19(16,17)13-8-10-4-2-6-18-10/h1-7,13H,8H2,(H,14,15).
What are the key properties of 3-(furan-2-ylmethylsulfamoyl)benzoic acid?
3-(furan-2-ylmethylsulfamoyl)benzoic acid has a molecular weight of 281.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 972732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).