1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide

C15H12N2O4S — CID 53464575

IUPAC1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide
SMILESO=C(NO)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H12N2O4S/c18-15(16-19)12-6-7-14-11(10-12)8-9-17(14)22(20,21)13-4-2-1-3-5-13/h1-10,19H,(H,16,18)
InChIKeyBTZABMALYQOZNE-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.00
Rot. Bonds3

About 1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide

1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide (PubChem CID 53464575) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide
PubChem CID53464575
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide
SMILESO=C(NO)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H12N2O4S/c18-15(16-19)12-6-7-14-11(10-12)8-9-17(14)22(20,21)13-4-2-1-3-5-13/h1-10,19H,(H,16,18)
InChIKeyBTZABMALYQOZNE-UHFFFAOYSA-N
XLogP2.00
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide (CID 53464575) is 1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide is O=C(NO)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide?
The InChIKey is BTZABMALYQOZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c18-15(16-19)12-6-7-14-11(10-12)8-9-17(14)22(20,21)13-4-2-1-3-5-13/h1-10,19H,(H,16,18).
What are the key properties of 1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide?
1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-hydroxyindole-5-carboxamide is sourced from PubChem (CID 53464575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).