7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid

C14H14N2O4S2 — CID 166266051

About 7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid

7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 166266051) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

• Compound Name: 7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
• PubChem CID: 166266051
• Molecular Formula: C14H14N2O4S2
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.04
• IUPAC Name: 7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
• SMILES: Cc1cc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)ns1
• InChI: InChI=1S/C14H14N2O4S2/c1-8-5-13(15-21-8)16-22(19,20)12-7-10(14(17)18)6-9-3-2-4-11(9)12/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18)
• InChIKey: RNMOOOPZWKZPPA-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 96.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?

The IUPAC name of 7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 166266051) is 7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.

What is the SMILES notation for 7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?

The canonical SMILES for 7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is Cc1cc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)ns1.

What is the InChIKey of 7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?

The InChIKey is RNMOOOPZWKZPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-8-5-13(15-21-8)16-22(19,20)12-7-10(14(17)18)6-9-3-2-4-11(9)12/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18).

What are the key properties of 7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?

7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 166266051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).