N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide

C21H15ClFN3O3S — CID 71449548

IUPACN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C21H15ClFN3O3S/c1-13-8-15(23)6-7-20(13)30(27,28)26-16-10-18(22)21(25-11-16)29-17-9-14-4-2-3-5-19(14)24-12-17/h2-12,26H,1H3
InChIKeyMRORGQWRRIHYIV-UHFFFAOYSA-N
MW443.89 g/mol
LogP5.32
Rot. Bonds5

About N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide

N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 71449548) has the molecular formula C21H15ClFN3O3S and a molecular weight of 443.89 g/mol. Its IUPAC name is N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID71449548
Molecular FormulaC21H15ClFN3O3S
Molecular Weight443.89 g/mol
Exact Mass443.05
IUPAC NameN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C21H15ClFN3O3S/c1-13-8-15(23)6-7-20(13)30(27,28)26-16-10-18(22)21(25-11-16)29-17-9-14-4-2-3-5-19(14)24-12-17/h2-12,26H,1H3
InChIKeyMRORGQWRRIHYIV-UHFFFAOYSA-N
XLogP5.32
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.89
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide (CID 71449548) is N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1.
What is the InChIKey of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is MRORGQWRRIHYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O3S/c1-13-8-15(23)6-7-20(13)30(27,28)26-16-10-18(22)21(25-11-16)29-17-9-14-4-2-3-5-19(14)24-12-17/h2-12,26H,1H3.
What are the key properties of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 443.89 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 71449548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).