2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid

C15H17NO5S — CID 154780595

IUPAC2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid
SMILESCc1cc(C)c(CNS(=O)(=O)c2occc2C(=O)O)c(C)c1
InChIInChI=1S/C15H17NO5S/c1-9-6-10(2)13(11(3)7-9)8-16-22(19,20)15-12(14(17)18)4-5-21-15/h4-7,16H,8H2,1-3H3,(H,17,18)
InChIKeyUEUDJNOIQKSNLZ-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.38
Rot. Bonds5

About 2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid

2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid (PubChem CID 154780595) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid
PubChem CID154780595
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid
SMILESCc1cc(C)c(CNS(=O)(=O)c2occc2C(=O)O)c(C)c1
InChIInChI=1S/C15H17NO5S/c1-9-6-10(2)13(11(3)7-9)8-16-22(19,20)15-12(14(17)18)4-5-21-15/h4-7,16H,8H2,1-3H3,(H,17,18)
InChIKeyUEUDJNOIQKSNLZ-UHFFFAOYSA-N
XLogP2.38
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid
CID 154780386
2-sulfofuran-3-carboxylic acid
CID 19603891
2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid
CID 166261054
4-[(2,4-dimethylfuran-3-yl)methylsulfamoyl]-2-methylbenzoic acid
CID 166267297
1-(2-methylfuran-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 104789347
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
2-[(2,4,6-trimethylphenoxy)methyl]furan-3-carboxylic acid
CID 43419459
5-(furan-3-ylmethylsulfamoyl)-2,4-dimethylbenzoic acid
CID 115588805
N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide
CID 45111504
2-[(2,4,6-trimethylphenyl)methylamino]acetic acid
CID 43135215
2-(bromomethyl)-3,5-dimethylbenzoic acid
CID 171024686
2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide
CID 94691758

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid (CID 154780595) is 2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid is Cc1cc(C)c(CNS(=O)(=O)c2occc2C(=O)O)c(C)c1.
What is the InChIKey of 2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid?
The InChIKey is UEUDJNOIQKSNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-9-6-10(2)13(11(3)7-9)8-16-22(19,20)15-12(14(17)18)4-5-21-15/h4-7,16H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid?
2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid has a molecular weight of 323.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 154780595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).