2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide

C22H14F4N2O3S — CID 58229326

IUPAC2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)c3c(F)cccc3F)c(F)c2)c2cc(F)ccc2n1
InChIInChI=1S/C22H14F4N2O3S/c1-12-9-21(15-10-13(23)5-7-19(15)27-12)31-14-6-8-20(18(26)11-14)28-32(29,30)22-16(24)3-2-4-17(22)25/h2-11,28H,1H3
InChIKeyNNIBLLNPYBKLET-UHFFFAOYSA-N
MW462.42 g/mol
LogP5.69
Rot. Bonds5

About 2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide

2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide (PubChem CID 58229326) has the molecular formula C22H14F4N2O3S and a molecular weight of 462.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide
PubChem CID58229326
Molecular FormulaC22H14F4N2O3S
Molecular Weight462.42 g/mol
Exact Mass462.07
IUPAC Name2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)c3c(F)cccc3F)c(F)c2)c2cc(F)ccc2n1
InChIInChI=1S/C22H14F4N2O3S/c1-12-9-21(15-10-13(23)5-7-19(15)27-12)31-14-6-8-20(18(26)11-14)28-32(29,30)22-16(24)3-2-4-17(22)25/h2-11,28H,1H3
InChIKeyNNIBLLNPYBKLET-UHFFFAOYSA-N
XLogP5.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.42
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide (CID 58229326) is 2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide is Cc1cc(Oc2ccc(NS(=O)(=O)c3c(F)cccc3F)c(F)c2)c2cc(F)ccc2n1.
What is the InChIKey of 2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide?
The InChIKey is NNIBLLNPYBKLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N2O3S/c1-12-9-21(15-10-13(23)5-7-19(15)27-12)31-14-6-8-20(18(26)11-14)28-32(29,30)22-16(24)3-2-4-17(22)25/h2-11,28H,1H3.
What are the key properties of 2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide?
2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide has a molecular weight of 462.42 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 58229326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).