methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate

C16H14FNO5S — CID 71882388

IUPACmethyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCc3ccc(F)cc32)ccc1O
InChIInChI=1S/C16H14FNO5S/c1-23-16(20)13-9-12(4-5-15(13)19)24(21,22)18-7-6-10-2-3-11(17)8-14(10)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeyUEVGEASBZKKOHV-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.07
Rot. Bonds3

About methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate

methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate (PubChem CID 71882388) has the molecular formula C16H14FNO5S and a molecular weight of 351.36 g/mol. Its IUPAC name is methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate
PubChem CID71882388
Molecular FormulaC16H14FNO5S
Molecular Weight351.36 g/mol
Exact Mass351.06
IUPAC Namemethyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCc3ccc(F)cc32)ccc1O
InChIInChI=1S/C16H14FNO5S/c1-23-16(20)13-9-12(4-5-15(13)19)24(21,22)18-7-6-10-2-3-11(17)8-14(10)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeyUEVGEASBZKKOHV-UHFFFAOYSA-N
XLogP2.07
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 103493859
3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 103499722
2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid
CID 56797641
6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
CID 60603664
[4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine
CID 103495192
methyl 2-[[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]sulfamoyl]benzoate
CID 141486298
N-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 112763869
methyl 3-[[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]sulfonyl]benzoate
CID 175307114
5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid
CID 103717309
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
methyl 2-hydroxy-5-methoxysulfonylbenzoate
CID 131860467

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate (CID 71882388) is methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate is COC(=O)c1cc(S(=O)(=O)N2CCc3ccc(F)cc32)ccc1O.
What is the InChIKey of methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate?
The InChIKey is UEVGEASBZKKOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO5S/c1-23-16(20)13-9-12(4-5-15(13)19)24(21,22)18-7-6-10-2-3-11(17)8-14(10)18/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate?
methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate has a molecular weight of 351.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate is sourced from PubChem (CID 71882388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).