1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid

C15H15NO5S — CID 102554077

IUPAC1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2c3ccccc3CC2C(=O)O)c(C)o1
InChIInChI=1S/C15H15NO5S/c1-9-7-14(10(2)21-9)22(19,20)16-12-6-4-3-5-11(12)8-13(16)15(17)18/h3-7,13H,8H2,1-2H3,(H,17,18)
InChIKeyXRMXLKDIBJHISE-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.10
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid

1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid (PubChem CID 102554077) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
PubChem CID102554077
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2c3ccccc3CC2C(=O)O)c(C)o1
InChIInChI=1S/C15H15NO5S/c1-9-7-14(10(2)21-9)22(19,20)16-12-6-4-3-5-11(12)8-13(16)15(17)18/h3-7,13H,8H2,1-2H3,(H,17,18)
InChIKeyXRMXLKDIBJHISE-UHFFFAOYSA-N
XLogP2.10
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 99635051
1-methylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 3486672
(2S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845806
(2S)-1-tert-butylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 55232020
(2S)-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845565
(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 164640962
(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 70189180
(2S)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]-2,3-dihydroindole-2-carboxylic acid
CID 66845811
(2R)-1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 10195981
1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 61066000
1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 43106825
(2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 154745822

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid (CID 102554077) is 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid is Cc1cc(S(=O)(=O)N2c3ccccc3CC2C(=O)O)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is XRMXLKDIBJHISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-9-7-14(10(2)21-9)22(19,20)16-12-6-4-3-5-11(12)8-13(16)15(17)18/h3-7,13H,8H2,1-2H3,(H,17,18).
What are the key properties of 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid?
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 321.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 102554077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).