N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide

C22H16F2N2O3S — CID 118873481

IUPACN-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Oc3cc(F)cc(F)c3)cc3cccnc23)cc1
InChIInChI=1S/C22H16F2N2O3S/c1-14-4-6-20(7-5-14)30(27,28)26-21-13-18(9-15-3-2-8-25-22(15)21)29-19-11-16(23)10-17(24)12-19/h2-13,26H,1H3
InChIKeyFHFIHSHCKXKPLG-UHFFFAOYSA-N
MW426.44 g/mol
LogP5.41
Rot. Bonds5

About N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide

N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide (PubChem CID 118873481) has the molecular formula C22H16F2N2O3S and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide
PubChem CID118873481
Molecular FormulaC22H16F2N2O3S
Molecular Weight426.44 g/mol
Exact Mass426.08
IUPAC NameN-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Oc3cc(F)cc(F)c3)cc3cccnc23)cc1
InChIInChI=1S/C22H16F2N2O3S/c1-14-4-6-20(7-5-14)30(27,28)26-21-13-18(9-15-3-2-8-25-22(15)21)29-19-11-16(23)10-17(24)12-19/h2-13,26H,1H3
InChIKeyFHFIHSHCKXKPLG-UHFFFAOYSA-N
XLogP5.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 16604844
N-(6-fluoroquinolin-8-yl)-3,5-dimethoxybenzenesulfonamide
CID 164876932
N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 821430
N-(6-fluoroquinolin-8-yl)-5-methylpyridine-2-sulfonamide
CID 164876845
4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide
CID 110715545
4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide
CID 110715588
N-(6-methylquinolin-8-yl)methanesulfonamide
CID 110715581
4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide
CID 14127632
N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide
CID 1380885
4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide
CID 19769793
5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid
CID 69058052
N-(6-chloroquinolin-8-yl)-5-methylpyridine-2-sulfonamide
CID 171466566

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide (CID 118873481) is N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Oc3cc(F)cc(F)c3)cc3cccnc23)cc1.
What is the InChIKey of N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide?
The InChIKey is FHFIHSHCKXKPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O3S/c1-14-4-6-20(7-5-14)30(27,28)26-21-13-18(9-15-3-2-8-25-22(15)21)29-19-11-16(23)10-17(24)12-19/h2-13,26H,1H3.
What are the key properties of N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide?
N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide has a molecular weight of 426.44 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 118873481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).