3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide

C20H23FN2O4S — CID 7498915

IUPAC3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1F
InChIInChI=1S/C20H23FN2O4S/c1-13(2)20(24)23-10-4-5-14-11-15(6-8-18(14)23)22-28(25,26)16-7-9-19(27-3)17(21)12-16/h6-9,11-13,22H,4-5,10H2,1-3H3
InChIKeyBZFCATHUHCBMJR-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.57
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide

3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide (PubChem CID 7498915) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
PubChem CID7498915
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1F
InChIInChI=1S/C20H23FN2O4S/c1-13(2)20(24)23-10-4-5-14-11-15(6-8-18(14)23)22-28(25,26)16-7-9-19(27-3)17(21)12-16/h6-9,11-13,22H,4-5,10H2,1-3H3
InChIKeyBZFCATHUHCBMJR-UHFFFAOYSA-N
XLogP3.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide (CID 7498915) is 3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide?
The InChIKey is BZFCATHUHCBMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-13(2)20(24)23-10-4-5-14-11-15(6-8-18(14)23)22-28(25,26)16-7-9-19(27-3)17(21)12-16/h6-9,11-13,22H,4-5,10H2,1-3H3.
What are the key properties of 3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide has a molecular weight of 406.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide is sourced from PubChem (CID 7498915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).