4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid

C14H14N2O4S — CID 43109587

IUPAC4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C14H14N2O4S/c1-9-6-10-4-2-3-5-13(10)16(9)21(19,20)11-7-12(14(17)18)15-8-11/h2-5,7-9,15H,6H2,1H3,(H,17,18)
InChIKeyJDLCGBGRRYRBBS-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.85
Rot. Bonds3

About 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid

4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 43109587) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
PubChem CID43109587
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C14H14N2O4S/c1-9-6-10-4-2-3-5-13(10)16(9)21(19,20)11-7-12(14(17)18)15-8-11/h2-5,7-9,15H,6H2,1H3,(H,17,18)
InChIKeyJDLCGBGRRYRBBS-UHFFFAOYSA-N
XLogP1.85
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 52528131
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
3-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]propanoic acid
CID 7516346
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 42958546
3-fluoro-4-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 167757923
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 55332107
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
CID 1034220
N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide
CID 23853086
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007
4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 107847878

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid (CID 43109587) is 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid is CC1Cc2ccccc2N1S(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is JDLCGBGRRYRBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9-6-10-4-2-3-5-13(10)16(9)21(19,20)11-7-12(14(17)18)15-8-11/h2-5,7-9,15H,6H2,1H3,(H,17,18).
What are the key properties of 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid?
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43109587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).