1-(benzenesulfonyl)indole-3-carboxylate

C15H10NO4S- — CID 6932015

IUPAC1-(benzenesulfonyl)indole-3-carboxylate
SMILESO=C([O-])c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C15H11NO4S/c17-15(18)13-10-16(14-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10H,(H,17,18)/p-1
InChIKeyISTBYLZYNVIQFS-UHFFFAOYSA-M
MW300.32 g/mol
LogP1.24
Rot. Bonds3

About 1-(benzenesulfonyl)indole-3-carboxylate

1-(benzenesulfonyl)indole-3-carboxylate (PubChem CID 6932015) has the molecular formula C15H10NO4S- and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-(benzenesulfonyl)indole-3-carboxylate.

Molecular Properties

Compound Name1-(benzenesulfonyl)indole-3-carboxylate
PubChem CID6932015
Molecular FormulaC15H10NO4S-
Molecular Weight300.32 g/mol
Exact Mass300.03
IUPAC Name1-(benzenesulfonyl)indole-3-carboxylate
SMILESO=C([O-])c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C15H11NO4S/c17-15(18)13-10-16(14-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10H,(H,17,18)/p-1
InChIKeyISTBYLZYNVIQFS-UHFFFAOYSA-M
XLogP1.24
TPSA79.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)indole-3-carboxylate?
The IUPAC name of 1-(benzenesulfonyl)indole-3-carboxylate (CID 6932015) is 1-(benzenesulfonyl)indole-3-carboxylate.
What is the SMILES notation for 1-(benzenesulfonyl)indole-3-carboxylate?
The canonical SMILES for 1-(benzenesulfonyl)indole-3-carboxylate is O=C([O-])c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(benzenesulfonyl)indole-3-carboxylate?
The InChIKey is ISTBYLZYNVIQFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11NO4S/c17-15(18)13-10-16(14-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10H,(H,17,18)/p-1.
What are the key properties of 1-(benzenesulfonyl)indole-3-carboxylate?
1-(benzenesulfonyl)indole-3-carboxylate has a molecular weight of 300.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)indole-3-carboxylate is sourced from PubChem (CID 6932015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).