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

C22H19FN2O3S2 — CID 43811658

IUPAC2-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1cccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c12
InChIInChI=1S/C22H19FN2O3S2/c1-15-6-4-7-16-12-17(22(26)24-21(15)16)13-25(14-18-8-5-11-29-18)30(27,28)20-10-3-2-9-19(20)23/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyORSPTDTUJLWXEM-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.43
Rot. Bonds6

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

2-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 43811658) has the molecular formula C22H19FN2O3S2 and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID43811658
Molecular FormulaC22H19FN2O3S2
Molecular Weight442.54 g/mol
Exact Mass442.08
IUPAC Name2-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1cccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c12
InChIInChI=1S/C22H19FN2O3S2/c1-15-6-4-7-16-12-17(22(26)24-21(15)16)13-25(14-18-8-5-11-29-18)30(27,28)20-10-3-2-9-19(20)23/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyORSPTDTUJLWXEM-UHFFFAOYSA-N
XLogP4.43
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 43811658) is 2-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1cccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c12.
What is the InChIKey of 2-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is ORSPTDTUJLWXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3S2/c1-15-6-4-7-16-12-17(22(26)24-21(15)16)13-25(14-18-8-5-11-29-18)30(27,28)20-10-3-2-9-19(20)23/h2-12H,13-14H2,1H3,(H,24,26).
What are the key properties of 2-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 442.54 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43811658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).