3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide

C24H22ClN3O5S — CID 23122419

IUPAC3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(COc2nc3cccnc3cc2NS(=O)(=O)c2cccc(Cl)c2C)cc1OC
InChIInChI=1S/C24H22ClN3O5S/c1-15-17(25)6-4-8-23(15)34(29,30)28-20-13-19-18(7-5-11-26-19)27-24(20)33-14-16-9-10-21(31-2)22(12-16)32-3/h4-13,28H,14H2,1-3H3
InChIKeyPNDYXBNAAWZZKZ-UHFFFAOYSA-N
MW499.98 g/mol
LogP4.99
Rot. Bonds8

About 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide

3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide (PubChem CID 23122419) has the molecular formula C24H22ClN3O5S and a molecular weight of 499.98 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide
PubChem CID23122419
Molecular FormulaC24H22ClN3O5S
Molecular Weight499.98 g/mol
Exact Mass499.10
IUPAC Name3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(COc2nc3cccnc3cc2NS(=O)(=O)c2cccc(Cl)c2C)cc1OC
InChIInChI=1S/C24H22ClN3O5S/c1-15-17(25)6-4-8-23(15)34(29,30)28-20-13-19-18(7-5-11-26-19)27-24(20)33-14-16-9-10-21(31-2)22(12-16)32-3/h4-13,28H,14H2,1-3H3
InChIKeyPNDYXBNAAWZZKZ-UHFFFAOYSA-N
XLogP4.99
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide (CID 23122419) is 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide is COc1ccc(COc2nc3cccnc3cc2NS(=O)(=O)c2cccc(Cl)c2C)cc1OC.
What is the InChIKey of 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is PNDYXBNAAWZZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5S/c1-15-17(25)6-4-8-23(15)34(29,30)28-20-13-19-18(7-5-11-26-19)27-24(20)33-14-16-9-10-21(31-2)22(12-16)32-3/h4-13,28H,14H2,1-3H3.
What are the key properties of 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 499.98 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-1,5-naphthyridin-3-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 23122419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).