4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid

C20H19NO6S — CID 23857762

IUPAC4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid
SMILESCOc1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C20H19NO6S/c1-26-17-5-2-4-15(12-17)13-21(14-18-6-3-11-27-18)28(24,25)19-9-7-16(8-10-19)20(22)23/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyGLFIXOWFUKONDS-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.38
Rot. Bonds8

About 4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid

4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid (PubChem CID 23857762) has the molecular formula C20H19NO6S and a molecular weight of 401.44 g/mol. Its IUPAC name is 4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid
PubChem CID23857762
Molecular FormulaC20H19NO6S
Molecular Weight401.44 g/mol
Exact Mass401.09
IUPAC Name4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid
SMILESCOc1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C20H19NO6S/c1-26-17-5-2-4-15(12-17)13-21(14-18-6-3-11-27-18)28(24,25)19-9-7-16(8-10-19)20(22)23/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyGLFIXOWFUKONDS-UHFFFAOYSA-N
XLogP3.38
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
4-[(3,4-difluorophenyl)methyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid
CID 25207453
4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid
CID 158552337
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
[3-[[furan-2-ylmethyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate
CID 4137449
[3-[[(4-tert-butylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4196566
[3-[[furan-2-ylmethyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 4667822
4-[[benzenesulfonyl-[(2-fluorophenyl)methyl]amino]methyl]benzoic acid;4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]benzoic acid;4-[[benzenesulfonyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoic acid;4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid;4-[benzyl-[(4-hydroxyphenyl)methyl]sulfamoyl]benzoic acid
CID 157413254
[3-[[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4196487
N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 18285388
ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate
CID 10691967
4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060492

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid (CID 23857762) is 4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid is COc1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid?
The InChIKey is GLFIXOWFUKONDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6S/c1-26-17-5-2-4-15(12-17)13-21(14-18-6-3-11-27-18)28(24,25)19-9-7-16(8-10-19)20(22)23/h2-12H,13-14H2,1H3,(H,22,23).
What are the key properties of 4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid?
4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid has a molecular weight of 401.44 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 23857762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).