5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid

C12H14N2O4S — CID 3078350

IUPAC5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)c(C(=O)O)cn2C
InChIInChI=1S/C12H14N2O4S/c1-13(2)19(17,18)8-4-5-11-9(6-8)10(12(15)16)7-14(11)3/h4-7H,1-3H3,(H,15,16)
InChIKeyWGCMWDHTTHGNJI-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.13
Rot. Bonds3

About 5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid

5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid (PubChem CID 3078350) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid
PubChem CID3078350
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)c(C(=O)O)cn2C
InChIInChI=1S/C12H14N2O4S/c1-13(2)19(17,18)8-4-5-11-9(6-8)10(12(15)16)7-14(11)3/h4-7H,1-3H3,(H,15,16)
InChIKeyWGCMWDHTTHGNJI-UHFFFAOYSA-N
XLogP1.13
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid?
The IUPAC name of 5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid (CID 3078350) is 5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid.
What is the SMILES notation for 5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid?
The canonical SMILES for 5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid is CN(C)S(=O)(=O)c1ccc2c(c1)c(C(=O)O)cn2C.
What is the InChIKey of 5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid?
The InChIKey is WGCMWDHTTHGNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-13(2)19(17,18)8-4-5-11-9(6-8)10(12(15)16)7-14(11)3/h4-7H,1-3H3,(H,15,16).
What are the key properties of 5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid?
5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid has a molecular weight of 282.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid is sourced from PubChem (CID 3078350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).