1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid

C10H12N2O4S — CID 114807060

IUPAC1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid
SMILESCNS(=O)(=O)N1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C10H12N2O4S/c1-11-17(15,16)12-5-4-7-2-3-8(10(13)14)6-9(7)12/h2-3,6,11H,4-5H2,1H3,(H,13,14)
InChIKeyROXFSAKOLSEKRP-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.21
Rot. Bonds3

About 1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid

1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid (PubChem CID 114807060) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid.

Molecular Properties

Compound Name1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid
PubChem CID114807060
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid
SMILESCNS(=O)(=O)N1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C10H12N2O4S/c1-11-17(15,16)12-5-4-7-2-3-8(10(13)14)6-9(7)12/h2-3,6,11H,4-5H2,1H3,(H,13,14)
InChIKeyROXFSAKOLSEKRP-UHFFFAOYSA-N
XLogP0.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 113382377
1-propylsulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 113382378
N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160438
1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 114805400
1-methylsulfonyl-2,3-dihydroindole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 162309885
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-(2-methylsulfonylacetyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382365
1-(1,4-oxazepan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxylic acid
CID 146077431
1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid
CID 154784937
[1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 53160542
1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid
CID 113382483
1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide
CID 53160533

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid?
The IUPAC name of 1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid (CID 114807060) is 1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid.
What is the SMILES notation for 1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid?
The canonical SMILES for 1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid is CNS(=O)(=O)N1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of 1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid?
The InChIKey is ROXFSAKOLSEKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-11-17(15,16)12-5-4-7-2-3-8(10(13)14)6-9(7)12/h2-3,6,11H,4-5H2,1H3,(H,13,14).
What are the key properties of 1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid?
1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 114807060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).