3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol

C14H12FNO3S — CID 103499722

IUPAC3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
SMILESO=S(=O)(c1cccc(O)c1)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H12FNO3S/c15-11-5-4-10-6-7-16(14(10)8-11)20(18,19)13-3-1-2-12(17)9-13/h1-5,8-9,17H,6-7H2
InChIKeyAXUCEMIFKUADHI-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.28
Rot. Bonds2

About 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol

3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol (PubChem CID 103499722) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol.

Molecular Properties

Compound Name3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
PubChem CID103499722
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
SMILESO=S(=O)(c1cccc(O)c1)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H12FNO3S/c15-11-5-4-10-6-7-16(14(10)8-11)20(18,19)13-3-1-2-12(17)9-13/h1-5,8-9,17H,6-7H2
InChIKeyAXUCEMIFKUADHI-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 103493859
[4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine
CID 103495192
6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
CID 60603664
methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate
CID 71882388
1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62267076
2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid
CID 56797641
5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid
CID 103717309
3-[[7-(2,4-difluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzoic acid
CID 175307031
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-(3-fluorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784415
3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 18565205
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
CID 103495195

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol?
The IUPAC name of 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol (CID 103499722) is 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol.
What is the SMILES notation for 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol?
The canonical SMILES for 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol is O=S(=O)(c1cccc(O)c1)N1CCc2ccc(F)cc21.
What is the InChIKey of 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol?
The InChIKey is AXUCEMIFKUADHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c15-11-5-4-10-6-7-16(14(10)8-11)20(18,19)13-3-1-2-12(17)9-13/h1-5,8-9,17H,6-7H2.
What are the key properties of 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol?
3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol has a molecular weight of 293.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol is sourced from PubChem (CID 103499722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).