5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid

C17H16FNO5S — CID 56797604

IUPAC5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cccc(F)c32)cc1C(=O)O
InChIInChI=1S/C17H16FNO5S/c1-24-15-8-7-12(10-13(15)17(20)21)25(22,23)19-9-3-5-11-4-2-6-14(18)16(11)19/h2,4,6-8,10H,3,5,9H2,1H3,(H,20,21)
InChIKeyDVAXYFBZDSMJND-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.67
Rot. Bonds4

About 5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid

5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid (PubChem CID 56797604) has the molecular formula C17H16FNO5S and a molecular weight of 365.38 g/mol. Its IUPAC name is 5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid
PubChem CID56797604
Molecular FormulaC17H16FNO5S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cccc(F)c32)cc1C(=O)O
InChIInChI=1S/C17H16FNO5S/c1-24-15-8-7-12(10-13(15)17(20)21)25(22,23)19-9-3-5-11-4-2-6-14(18)16(11)19/h2,4,6-8,10H,3,5,9H2,1H3,(H,20,21)
InChIKeyDVAXYFBZDSMJND-UHFFFAOYSA-N
XLogP2.67
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid with MolForge

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Related Compounds

1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline
CID 38750679
2-[3-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methoxyphenyl]acetic acid
CID 51125516
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
7-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 56798632
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55632192
methyl 3-[5-[(8-acetyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxyphenyl]prop-2-enoate
CID 71948436
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxybenzoic acid
CID 737522
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid
CID 56797641
5-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-ethylbenzoic acid
CID 75469618
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 78843598
4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 134025719

Frequently Asked Questions

What is the IUPAC name of 5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid (CID 56797604) is 5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid is COc1ccc(S(=O)(=O)N2CCCc3cccc(F)c32)cc1C(=O)O.
What is the InChIKey of 5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid?
The InChIKey is DVAXYFBZDSMJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5S/c1-24-15-8-7-12(10-13(15)17(20)21)25(22,23)19-9-3-5-11-4-2-6-14(18)16(11)19/h2,4,6-8,10H,3,5,9H2,1H3,(H,20,21).
What are the key properties of 5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid?
5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid has a molecular weight of 365.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid is sourced from PubChem (CID 56797604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).