2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid

C15H17NO5S — CID 154780386

IUPAC2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid
SMILESCCN(c1cc(C)cc(C)c1)S(=O)(=O)c1occc1C(=O)O
InChIInChI=1S/C15H17NO5S/c1-4-16(12-8-10(2)7-11(3)9-12)22(19,20)15-13(14(17)18)5-6-21-15/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyRSTQTMCLNZCZTK-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.81
Rot. Bonds5

About 2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid

2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid (PubChem CID 154780386) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid
PubChem CID154780386
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid
SMILESCCN(c1cc(C)cc(C)c1)S(=O)(=O)c1occc1C(=O)O
InChIInChI=1S/C15H17NO5S/c1-4-16(12-8-10(2)7-11(3)9-12)22(19,20)15-13(14(17)18)5-6-21-15/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyRSTQTMCLNZCZTK-UHFFFAOYSA-N
XLogP2.81
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4,6-trimethylphenyl)methylsulfamoyl]furan-3-carboxylic acid
CID 154780595
2-sulfofuran-3-carboxylic acid
CID 19603891
2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid
CID 138056799
2-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 18615557
N-(3,5-dimethylphenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 94622914
5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 43263312
N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide
CID 113153950
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 21372133
2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetic acid
CID 4110629
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate
CID 50891887
2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid
CID 3590660
5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60910761

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid (CID 154780386) is 2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid is CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1occc1C(=O)O.
What is the InChIKey of 2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid?
The InChIKey is RSTQTMCLNZCZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-4-16(12-8-10(2)7-11(3)9-12)22(19,20)15-13(14(17)18)5-6-21-15/h5-9H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid?
2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid has a molecular weight of 323.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 154780386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).