acetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide

C18H17FN2O5S — CID 163341326

IUPACacetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide
SMILESCC(=O)O.COc1nc2ccccc2cc1-c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C16H13FN2O3S.C2H4O2/c1-22-16-13(8-10-4-2-3-5-15(10)19-16)12-7-6-11(9-14(12)17)23(18,20)21;1-2(3)4/h2-9H,1H3,(H2,18,20,21);1H3,(H,3,4)
InChIKeyFFDHRBVDNOXSNJ-UHFFFAOYSA-N
MW392.41 g/mol
LogP2.79
Rot. Bonds3

About acetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide

acetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide (PubChem CID 163341326) has the molecular formula C18H17FN2O5S and a molecular weight of 392.41 g/mol. Its IUPAC name is acetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Nameacetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide
PubChem CID163341326
Molecular FormulaC18H17FN2O5S
Molecular Weight392.41 g/mol
Exact Mass392.08
IUPAC Nameacetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide
SMILESCC(=O)O.COc1nc2ccccc2cc1-c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C16H13FN2O3S.C2H4O2/c1-22-16-13(8-10-4-2-3-5-15(10)19-16)12-7-6-11(9-14(12)17)23(18,20)21;1-2(3)4/h2-9H,1H3,(H2,18,20,21);1H3,(H,3,4)
InChIKeyFFDHRBVDNOXSNJ-UHFFFAOYSA-N
XLogP2.79
TPSA119.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-(2-methoxyquinolin-3-yl)phenol
CID 155917206
3-(2-methoxyquinolin-3-yl)-6-methylpyridin-2-amine
CID 155911267
(2-methoxyquinolin-3-yl) hydrogen carbonate
CID 70529555
3-(2-methoxyquinolin-3-yl)pyridin-4-amine
CID 50957760
2-amino-1-(2-methoxyquinolin-3-yl)ethanone
CID 90036655
6-(2-methoxyquinolin-3-yl)-N-methylpyridazin-3-amine
CID 155918224
2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline
CID 155914490
3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide
CID 60733892
3-fluoro-4-pyridin-4-ylbenzenesulfonamide
CID 131915526
3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide
CID 82913722
methyl 4-(2-fluoro-4-sulfamoylphenyl)but-3-enoate
CID 170501540
(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoate
CID 7042099

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide?
The IUPAC name of acetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide (CID 163341326) is acetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide.
What is the SMILES notation for acetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide?
The canonical SMILES for acetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide is CC(=O)O.COc1nc2ccccc2cc1-c1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of acetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide?
The InChIKey is FFDHRBVDNOXSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S.C2H4O2/c1-22-16-13(8-10-4-2-3-5-15(10)19-16)12-7-6-11(9-14(12)17)23(18,20)21;1-2(3)4/h2-9H,1H3,(H2,18,20,21);1H3,(H,3,4).
What are the key properties of acetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide?
acetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide has a molecular weight of 392.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-fluoro-4-(2-methoxyquinolin-3-yl)benzenesulfonamide is sourced from PubChem (CID 163341326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).