3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide

C21H18FN3O3S — CID 24988237

IUPAC3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide
SMILESCc1ccc(CNc2ccc3c(NS(=O)(=O)c4cccc(F)c4)cccc3n2)o1
InChIInChI=1S/C21H18FN3O3S/c1-14-8-9-16(28-14)13-23-21-11-10-18-19(24-21)6-3-7-20(18)25-29(26,27)17-5-2-4-15(22)12-17/h2-12,25H,13H2,1H3,(H,23,24)
InChIKeyFCPZJSHPVWVLMA-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.69
Rot. Bonds6

About 3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide

3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide (PubChem CID 24988237) has the molecular formula C21H18FN3O3S and a molecular weight of 411.46 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide
PubChem CID24988237
Molecular FormulaC21H18FN3O3S
Molecular Weight411.46 g/mol
Exact Mass411.11
IUPAC Name3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide
SMILESCc1ccc(CNc2ccc3c(NS(=O)(=O)c4cccc(F)c4)cccc3n2)o1
InChIInChI=1S/C21H18FN3O3S/c1-14-8-9-16(28-14)13-23-21-11-10-18-19(24-21)6-3-7-20(18)25-29(26,27)17-5-2-4-15(22)12-17/h2-12,25H,13H2,1H3,(H,23,24)
InChIKeyFCPZJSHPVWVLMA-UHFFFAOYSA-N
XLogP4.69
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 25039893
2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine
CID 24987488
N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide
CID 24990825
6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline
CID 68915965
6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
CID 80646710
N-(2-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43744046
N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide
CID 42170789
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 16778029

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide (CID 24988237) is 3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide is Cc1ccc(CNc2ccc3c(NS(=O)(=O)c4cccc(F)c4)cccc3n2)o1.
What is the InChIKey of 3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide?
The InChIKey is FCPZJSHPVWVLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3S/c1-14-8-9-16(28-14)13-23-21-11-10-18-19(24-21)6-3-7-20(18)25-29(26,27)17-5-2-4-15(22)12-17/h2-12,25H,13H2,1H3,(H,23,24).
What are the key properties of 3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide?
3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide has a molecular weight of 411.46 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide is sourced from PubChem (CID 24988237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).