1H-Indole-2-methanol, alpha-methyl-1-(phenylsulfonyl)-alpha-4-pyridinyl-

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Basic information

CAS: 40899-89-6
Standard SMILES: CC(O)(c1ccncc1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIKey: SPWJGMUNZCZADU-UHFFFAOYSA-N
Molecular formula: C21H18N2O3S
Average molar mass: 378.4 g/mol
Monoisotopic mass: 378.10381361

Names & identifiers

Preferred name: 1H-Indole-2-methanol, alpha-methyl-1-(phenylsulfonyl)-alpha-4-pyridinyl-
IUPAC: 1-[1-(benzenesulfonyl)indol-2-yl]-1-pyridin-4-ylethanol

Names & synonyms

40899-89-6NSC177964NSC 1779641H-Indole-2-methanol, alpha-methyl-1-(phenylsulfonyl)-alpha-4-pyridinyl-NSC-177964DS-0017031-[1-(benzenesulfonyl)indol-2-yl]-1-(4-pyridyl)ethanol1H-Indole-2-methanol, .alpha.-methyl-1-(phenylsulfonyl)-.alpha.-4-pyridinyl-

Database identifiers

CAS: 40899-89-6
PubChem CID: 301340

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 80.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 607

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Compound notes

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