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

C21H16ClN3O3S — CID 71449547

IUPACN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C21H16ClN3O3S/c1-14-6-2-5-9-20(14)29(26,27)25-16-11-18(22)21(24-12-16)28-17-10-15-7-3-4-8-19(15)23-13-17/h2-13,25H,1H3
InChIKeyMLZHAWDEVKHWTQ-UHFFFAOYSA-N
MW425.90 g/mol
LogP5.18
Rot. Bonds5

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

N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2-methylbenzenesulfonamide (PubChem CID 71449547) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2-methylbenzenesulfonamide
PubChem CID71449547
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC NameN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C21H16ClN3O3S/c1-14-6-2-5-9-20(14)29(26,27)25-16-11-18(22)21(24-12-16)28-17-10-15-7-3-4-8-19(15)23-13-17/h2-13,25H,1H3
InChIKeyMLZHAWDEVKHWTQ-UHFFFAOYSA-N
XLogP5.18
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.90
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2-methylbenzenesulfonamide (CID 71449547) is N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1.
What is the InChIKey of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2-methylbenzenesulfonamide?
The InChIKey is MLZHAWDEVKHWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-14-6-2-5-9-20(14)29(26,27)25-16-11-18(22)21(24-12-16)28-17-10-15-7-3-4-8-19(15)23-13-17/h2-13,25H,1H3.
What are the key properties of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2-methylbenzenesulfonamide?
N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2-methylbenzenesulfonamide has a molecular weight of 425.90 g/mol, XLogP of 5.18, 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)-2-methylbenzenesulfonamide is sourced from PubChem (CID 71449547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).