Molecule card · MolClass #35303

14731535

14731535: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 14731535Antifungal Pump Inhibitors · compound_name
MolClass ID: 35303
InChIKey: RGCNLNXLRYRUKC-UHFFFAOYSA-N
Canonical SMILES: CC(=O)c1ccc(cc1)NS(=O)(=O)Cc2ccc(cc2)Cl
Standard InChI: InChI=1S/C15H14ClNO3S/c1-11(18)13-4-8-15(9-5-13)17-21(19,20)10-12-2-6-14(16)7-3-12/h2-9,17H,10H2,1H3
Stored Murcko scaffold: S(Nc1ccccc1)Cc2ccccc2

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

[O-][N+](=O)c1ccc(C)c(NS(=O)(=O)Cc2ccccc2)c1#152294

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 71.62 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 323.796 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.206; CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Antifungal Pump Inhibitors
Dataset #18 · 14731535