1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid

C12H13NO4S — CID 113382377

IUPAC1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C12H13NO4S/c14-12(15)9-2-1-8-5-6-13(11(8)7-9)18(16,17)10-3-4-10/h1-2,7,10H,3-6H2,(H,14,15)
InChIKeyLRBNVMDADROIQG-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.24
Rot. Bonds3

About 1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid

1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid (PubChem CID 113382377) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid
PubChem CID113382377
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C12H13NO4S/c14-12(15)9-2-1-8-5-6-13(11(8)7-9)18(16,17)10-3-4-10/h1-2,7,10H,3-6H2,(H,14,15)
InChIKeyLRBNVMDADROIQG-UHFFFAOYSA-N
XLogP1.24
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid?
The IUPAC name of 1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid (CID 113382377) is 1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid.
What is the SMILES notation for 1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid?
The canonical SMILES for 1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid is O=C(O)c1ccc2c(c1)N(S(=O)(=O)C1CC1)CC2.
What is the InChIKey of 1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid?
The InChIKey is LRBNVMDADROIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c14-12(15)9-2-1-8-5-6-13(11(8)7-9)18(16,17)10-3-4-10/h1-2,7,10H,3-6H2,(H,14,15).
What are the key properties of 1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid?
1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid has a molecular weight of 267.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 113382377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).