1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid

C15H13NO4S — CID 43095154

IUPAC1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13NO4S/c17-15(18)14-10-11-6-4-5-9-13(11)16(14)21(19,20)12-7-2-1-3-8-12/h1-9,14H,10H2,(H,17,18)
InChIKeyBFCHVACILRGCRA-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.89
Rot. Bonds3

About 1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid

1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 43095154) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID43095154
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13NO4S/c17-15(18)14-10-11-6-4-5-9-13(11)16(14)21(19,20)12-7-2-1-3-8-12/h1-9,14H,10H2,(H,17,18)
InChIKeyBFCHVACILRGCRA-UHFFFAOYSA-N
XLogP1.89
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid (CID 43095154) is 1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is BFCHVACILRGCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c17-15(18)14-10-11-6-4-5-9-13(11)16(14)21(19,20)12-7-2-1-3-8-12/h1-9,14H,10H2,(H,17,18).
What are the key properties of 1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid?
1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 43095154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).