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

C14H12FNO4S2 — CID 56797639

IUPAC5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)N2CCCc3ccc(F)cc32)c1
InChIInChI=1S/C14H12FNO4S2/c15-11-4-3-9-2-1-5-16(12(9)7-11)22(19,20)13-6-10(8-21-13)14(17)18/h3-4,6-8H,1-2,5H2,(H,17,18)
InChIKeyGVYOOFJHCXUVLK-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.73
Rot. Bonds3

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

5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid (PubChem CID 56797639) has the molecular formula C14H12FNO4S2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid
PubChem CID56797639
Molecular FormulaC14H12FNO4S2
Molecular Weight341.39 g/mol
Exact Mass341.02
IUPAC Name5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)N2CCCc3ccc(F)cc32)c1
InChIInChI=1S/C14H12FNO4S2/c15-11-4-3-9-2-1-5-16(12(9)7-11)22(19,20)13-6-10(8-21-13)14(17)18/h3-4,6-8H,1-2,5H2,(H,17,18)
InChIKeyGVYOOFJHCXUVLK-UHFFFAOYSA-N
XLogP2.73
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid (CID 56797639) is 5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)N2CCCc3ccc(F)cc32)c1.
What is the InChIKey of 5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid?
The InChIKey is GVYOOFJHCXUVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S2/c15-11-4-3-9-2-1-5-16(12(9)7-11)22(19,20)13-6-10(8-21-13)14(17)18/h3-4,6-8H,1-2,5H2,(H,17,18).
What are the key properties of 5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid?
5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid has a molecular weight of 341.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 56797639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).