N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

C23H21FN2O3S2 — CID 3183934

IUPACN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1C
InChIInChI=1S/C23H21FN2O3S2/c1-15-5-6-17-12-18(23(27)25-22(17)16(15)2)13-26(14-20-4-3-11-30-20)31(28,29)21-9-7-19(24)8-10-21/h3-12H,13-14H2,1-2H3,(H,25,27)
InChIKeyGGMMVINPUWBTGZ-UHFFFAOYSA-N
MW456.56 g/mol
LogP4.74
Rot. Bonds6

About N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 3183934) has the molecular formula C23H21FN2O3S2 and a molecular weight of 456.56 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID3183934
Molecular FormulaC23H21FN2O3S2
Molecular Weight456.56 g/mol
Exact Mass456.10
IUPAC NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1C
InChIInChI=1S/C23H21FN2O3S2/c1-15-5-6-17-12-18(23(27)25-22(17)16(15)2)13-26(14-20-4-3-11-30-20)31(28,29)21-9-7-19(24)8-10-21/h3-12H,13-14H2,1-2H3,(H,25,27)
InChIKeyGGMMVINPUWBTGZ-UHFFFAOYSA-N
XLogP4.74
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)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 N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 3183934) is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1ccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1C.
What is the InChIKey of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is GGMMVINPUWBTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3S2/c1-15-5-6-17-12-18(23(27)25-22(17)16(15)2)13-26(14-20-4-3-11-30-20)31(28,29)21-9-7-19(24)8-10-21/h3-12H,13-14H2,1-2H3,(H,25,27).
What are the key properties of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 456.56 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3183934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).