4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane

C18H19FN2O3S — CID 145257869

IUPAC4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane
SMILESC1CCOC1.NS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C14H11FN2O2S.C4H8O/c15-10-3-6-12-13(8-17-14(12)7-10)9-1-4-11(5-2-9)20(16,18)19;1-2-4-5-3-1/h1-8,17H,(H2,16,18,19);1-4H2
InChIKeyZBFDMTCNWLJTRH-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.42
Rot. Bonds2

About 4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane

4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane (PubChem CID 145257869) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane.

Molecular Properties

Compound Name4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane
PubChem CID145257869
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane
SMILESC1CCOC1.NS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C14H11FN2O2S.C4H8O/c15-10-3-6-12-13(8-17-14(12)7-10)9-1-4-11(5-2-9)20(16,18)19;1-2-4-5-3-1/h1-8,17H,(H2,16,18,19);1-4H2
InChIKeyZBFDMTCNWLJTRH-UHFFFAOYSA-N
XLogP3.42
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide
CID 126574533
4-[2-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]ethyl]morpholin-4-ium-4-carboxamide
CID 126574737
(3S,4R)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-amine
CID 126584248
[(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 126583952
4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 126584383
1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol
CID 126583951
1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 135285771
4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane
CID 144924015
[1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol
CID 126583937
4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide
CID 140892882
6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole
CID 144902248
(2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol
CID 126584154

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane?
The IUPAC name of 4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane (CID 145257869) is 4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane.
What is the SMILES notation for 4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane?
The canonical SMILES for 4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane is C1CCOC1.NS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of 4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane?
The InChIKey is ZBFDMTCNWLJTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S.C4H8O/c15-10-3-6-12-13(8-17-14(12)7-10)9-1-4-11(5-2-9)20(16,18)19;1-2-4-5-3-1/h1-8,17H,(H2,16,18,19);1-4H2.
What are the key properties of 4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane?
4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane has a molecular weight of 362.43 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane is sourced from PubChem (CID 145257869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).