7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid

C19H19NO4S — CID 52528131

IUPAC7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESC[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)O)cc2c1CCC2
InChIInChI=1S/C19H19NO4S/c1-12-9-14-5-2-3-8-17(14)20(12)25(23,24)18-11-15(19(21)22)10-13-6-4-7-16(13)18/h2-3,5,8,10-12H,4,6-7,9H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyVNXQHDJGGBPJJU-GFCCVEGCSA-N
MW357.43 g/mol
LogP3.01
Rot. Bonds3

About 7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid

7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 52528131) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID52528131
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESC[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)O)cc2c1CCC2
InChIInChI=1S/C19H19NO4S/c1-12-9-14-5-2-3-8-17(14)20(12)25(23,24)18-11-15(19(21)22)10-13-6-4-7-16(13)18/h2-3,5,8,10-12H,4,6-7,9H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyVNXQHDJGGBPJJU-GFCCVEGCSA-N
XLogP3.01
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid with MolForge

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Related Compounds

3-fluoro-4-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 167757923
7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 7384634
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 43109587
(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937
(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 154832079
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 4986555
azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 55332107
[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 60581739
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
[2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]hydrazine
CID 43454884

Frequently Asked Questions

What is the IUPAC name of 7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 52528131) is 7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid is C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)O)cc2c1CCC2.
What is the InChIKey of 7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is VNXQHDJGGBPJJU-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-12-9-14-5-2-3-8-17(14)20(12)25(23,24)18-11-15(19(21)22)10-13-6-4-7-16(13)18/h2-3,5,8,10-12H,4,6-7,9H2,1H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 357.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 52528131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).