1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide

C23H23FN2O5S2 — CID 27368918

IUPAC1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)Cc4ccccc4F)ccc32)cc1
InChIInChI=1S/C23H23FN2O5S2/c1-31-20-9-11-21(12-10-20)33(29,30)26-14-4-6-17-15-19(8-13-23(17)26)25-32(27,28)16-18-5-2-3-7-22(18)24/h2-3,5,7-13,15,25H,4,6,14,16H2,1H3
InChIKeyIJUWPGCIKUEUKO-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.92
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide

1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide (PubChem CID 27368918) has the molecular formula C23H23FN2O5S2 and a molecular weight of 490.58 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
PubChem CID27368918
Molecular FormulaC23H23FN2O5S2
Molecular Weight490.58 g/mol
Exact Mass490.10
IUPAC Name1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)Cc4ccccc4F)ccc32)cc1
InChIInChI=1S/C23H23FN2O5S2/c1-31-20-9-11-21(12-10-20)33(29,30)26-14-4-6-17-15-19(8-13-23(17)26)25-32(27,28)16-18-5-2-3-7-22(18)24/h2-3,5,7-13,15,25H,4,6,14,16H2,1H3
InChIKeyIJUWPGCIKUEUKO-UHFFFAOYSA-N
XLogP3.92
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide 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 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide (CID 27368918) is 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide is COc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)Cc4ccccc4F)ccc32)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide?
The InChIKey is IJUWPGCIKUEUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5S2/c1-31-20-9-11-21(12-10-20)33(29,30)26-14-4-6-17-15-19(8-13-23(17)26)25-32(27,28)16-18-5-2-3-7-22(18)24/h2-3,5,7-13,15,25H,4,6,14,16H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide?
1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide has a molecular weight of 490.58 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide is sourced from PubChem (CID 27368918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).