2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid

C16H13F2NO4S — CID 56797641

IUPAC2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCCc3ccc(F)cc32)ccc1F
InChIInChI=1S/C16H13F2NO4S/c17-11-4-3-10-2-1-7-19(15(10)8-11)24(22,23)12-5-6-14(18)13(9-12)16(20)21/h3-6,8-9H,1-2,7H2,(H,20,21)
InChIKeyPTHRYRNTLRZXKG-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.80
Rot. Bonds3

About 2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid

2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid (PubChem CID 56797641) has the molecular formula C16H13F2NO4S and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid
PubChem CID56797641
Molecular FormulaC16H13F2NO4S
Molecular Weight353.35 g/mol
Exact Mass353.05
IUPAC Name2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCCc3ccc(F)cc32)ccc1F
InChIInChI=1S/C16H13F2NO4S/c17-11-4-3-10-2-1-7-19(15(10)8-11)24(22,23)12-5-6-14(18)13(9-12)16(20)21/h3-6,8-9H,1-2,7H2,(H,20,21)
InChIKeyPTHRYRNTLRZXKG-UHFFFAOYSA-N
XLogP2.80
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]sulfonyl]benzoic acid
CID 175307011
6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
CID 60603664
3-[[7-(2,4-difluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzoic acid
CID 175307031
1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62267076
methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate
CID 71882388
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,5-difluorobenzenesulfonamide
CID 43990471
2-amino-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 103493859
N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide
CID 4170554
1-(2,6-difluorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanone
CID 159962805
3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 103499722
5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid
CID 56797604
5-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-methoxybenzamide
CID 27443748

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid (CID 56797641) is 2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)N2CCCc3ccc(F)cc32)ccc1F.
What is the InChIKey of 2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid?
The InChIKey is PTHRYRNTLRZXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4S/c17-11-4-3-10-2-1-7-19(15(10)8-11)24(22,23)12-5-6-14(18)13(9-12)16(20)21/h3-6,8-9H,1-2,7H2,(H,20,21).
What are the key properties of 2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid?
2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid has a molecular weight of 353.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid is sourced from PubChem (CID 56797641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).