3-fluoro-4-methoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

C19H21FN2O4S — CID 42448558

IUPAC3-fluoro-4-methoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC)c(F)c3)cc21
InChIInChI=1S/C19H21FN2O4S/c1-3-19(23)22-10-4-5-13-6-7-14(11-17(13)22)21-27(24,25)15-8-9-18(26-2)16(20)12-15/h6-9,11-12,21H,3-5,10H2,1-2H3
InChIKeyKVKLKZFSVSLWCN-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.32
Rot. Bonds5

About 3-fluoro-4-methoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

3-fluoro-4-methoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (PubChem CID 42448558) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
PubChem CID42448558
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name3-fluoro-4-methoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC)c(F)c3)cc21
InChIInChI=1S/C19H21FN2O4S/c1-3-19(23)22-10-4-5-13-6-7-14(11-17(13)22)21-27(24,25)15-8-9-18(26-2)16(20)12-15/h6-9,11-12,21H,3-5,10H2,1-2H3
InChIKeyKVKLKZFSVSLWCN-UHFFFAOYSA-N
XLogP3.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-methoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-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-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (CID 42448558) is 3-fluoro-4-methoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC)c(F)c3)cc21.
What is the InChIKey of 3-fluoro-4-methoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The InChIKey is KVKLKZFSVSLWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-3-19(23)22-10-4-5-13-6-7-14(11-17(13)22)21-27(24,25)15-8-9-18(26-2)16(20)12-15/h6-9,11-12,21H,3-5,10H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
3-fluoro-4-methoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide has a molecular weight of 392.45 g/mol, XLogP of 3.32, 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-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 42448558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).