1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid

C11H14N2O4S — CID 114805400

IUPAC1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid
SMILESCCNS(=O)(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H14N2O4S/c1-2-12-18(16,17)13-6-5-8-7-9(11(14)15)3-4-10(8)13/h3-4,7,12H,2,5-6H2,1H3,(H,14,15)
InChIKeyHFQTZFQRFAECLS-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.60
Rot. Bonds4

About 1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid

1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 114805400) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID114805400
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid
SMILESCCNS(=O)(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H14N2O4S/c1-2-12-18(16,17)13-6-5-8-7-9(11(14)15)3-4-10(8)13/h3-4,7,12H,2,5-6H2,1H3,(H,14,15)
InChIKeyHFQTZFQRFAECLS-UHFFFAOYSA-N
XLogP0.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide
CID 110634468
N-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide
CID 102661359
1-(methoxycarbonylsulfamoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 114462048
1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid
CID 114807060
1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 61066001
1-butylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43142373
4-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 110737435
2,2-dimethyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119249841
1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 78873415
1-propylsulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 113382378
1-(2-phenylethenylsulfonyl)-2,3-dihydroindole-5-carboxylic acid
CID 78829266
1-(3-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 61062442

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid (CID 114805400) is 1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid is CCNS(=O)(=O)N1CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is HFQTZFQRFAECLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-2-12-18(16,17)13-6-5-8-7-9(11(14)15)3-4-10(8)13/h3-4,7,12H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid?
1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 114805400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).