4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide

C15H19FN2O4S — CID 124888985

IUPAC4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide
SMILESCOC[C@H](NS(=O)(=O)c1c[nH]c2cccc(F)c12)[C@H]1CCCO1
InChIInChI=1S/C15H19FN2O4S/c1-21-9-12(13-6-3-7-22-13)18-23(19,20)14-8-17-11-5-2-4-10(16)15(11)14/h2,4-5,8,12-13,17-18H,3,6-7,9H2,1H3/t12-,13+/m0/s1
InChIKeyGNSQBDXRRLESNM-QWHCGFSZSA-N
MW342.39 g/mol
LogP1.78
Rot. Bonds6

About 4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide

4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide (PubChem CID 124888985) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is 4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide
PubChem CID124888985
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide
SMILESCOC[C@H](NS(=O)(=O)c1c[nH]c2cccc(F)c12)[C@H]1CCCO1
InChIInChI=1S/C15H19FN2O4S/c1-21-9-12(13-6-3-7-22-13)18-23(19,20)14-8-17-11-5-2-4-10(16)15(11)14/h2,4-5,8,12-13,17-18H,3,6-7,9H2,1H3/t12-,13+/m0/s1
InChIKeyGNSQBDXRRLESNM-QWHCGFSZSA-N
XLogP1.78
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide?
The IUPAC name of 4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide (CID 124888985) is 4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide?
The canonical SMILES for 4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide is COC[C@H](NS(=O)(=O)c1c[nH]c2cccc(F)c12)[C@H]1CCCO1.
What is the InChIKey of 4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide?
The InChIKey is GNSQBDXRRLESNM-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c1-21-9-12(13-6-3-7-22-13)18-23(19,20)14-8-17-11-5-2-4-10(16)15(11)14/h2,4-5,8,12-13,17-18H,3,6-7,9H2,1H3/t12-,13+/m0/s1.
What are the key properties of 4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide?
4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide has a molecular weight of 342.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 124888985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).