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

C22H18ClN3O5S — CID 71462063

IUPACN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cnc(Oc3cnc4ccccc4c3)c(Cl)c2)c1
InChIInChI=1S/C22H18ClN3O5S/c1-29-16-7-8-20(30-2)21(11-16)32(27,28)26-15-10-18(23)22(25-12-15)31-17-9-14-5-3-4-6-19(14)24-13-17/h3-13,26H,1-2H3
InChIKeyOJPLNBWAZSXJTJ-UHFFFAOYSA-N
MW471.92 g/mol
LogP4.89
Rot. Bonds7

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

N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 71462063) has the molecular formula C22H18ClN3O5S and a molecular weight of 471.92 g/mol. Its IUPAC name is N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID71462063
Molecular FormulaC22H18ClN3O5S
Molecular Weight471.92 g/mol
Exact Mass471.07
IUPAC NameN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cnc(Oc3cnc4ccccc4c3)c(Cl)c2)c1
InChIInChI=1S/C22H18ClN3O5S/c1-29-16-7-8-20(30-2)21(11-16)32(27,28)26-15-10-18(23)22(25-12-15)31-17-9-14-5-3-4-6-19(14)24-13-17/h3-13,26H,1-2H3
InChIKeyOJPLNBWAZSXJTJ-UHFFFAOYSA-N
XLogP4.89
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide (CID 71462063) is N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cnc(Oc3cnc4ccccc4c3)c(Cl)c2)c1.
What is the InChIKey of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is OJPLNBWAZSXJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O5S/c1-29-16-7-8-20(30-2)21(11-16)32(27,28)26-15-10-18(23)22(25-12-15)31-17-9-14-5-3-4-6-19(14)24-13-17/h3-13,26H,1-2H3.
What are the key properties of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide?
N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 471.92 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 71462063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).