N-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide

C23H19FN2O3S — CID 38828810

IUPACN-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2cc(F)cc3cccnc23)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19FN2O3S/c1-29-21-11-9-20(10-12-21)26(30(27,28)22-7-3-2-4-8-22)16-18-15-19(24)14-17-6-5-13-25-23(17)18/h2-15H,16H2,1H3
InChIKeyFKCLHSPRDXVCCN-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.78
Rot. Bonds6

About N-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide

N-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 38828810) has the molecular formula C23H19FN2O3S and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID38828810
Molecular FormulaC23H19FN2O3S
Molecular Weight422.48 g/mol
Exact Mass422.11
IUPAC NameN-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2cc(F)cc3cccnc23)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19FN2O3S/c1-29-21-11-9-20(10-12-21)26(30(27,28)22-7-3-2-4-8-22)16-18-15-19(24)14-17-6-5-13-25-23(17)18/h2-15H,16H2,1H3
InChIKeyFKCLHSPRDXVCCN-UHFFFAOYSA-N
XLogP4.78
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46022004
4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 46021847
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 42841700
4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46152500
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4793747
N-(3-fluoro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46014788
N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide
CID 46022863
N-(3,4-dimethoxyphenyl)-4-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46022040
N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331
N-(4-ethoxyphenyl)-4-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 4903642

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 38828810) is N-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(Cc2cc(F)cc3cccnc23)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is FKCLHSPRDXVCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3S/c1-29-21-11-9-20(10-12-21)26(30(27,28)22-7-3-2-4-8-22)16-18-15-19(24)14-17-6-5-13-25-23(17)18/h2-15H,16H2,1H3.
What are the key properties of N-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
N-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 422.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 38828810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).