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

C26H26Cl2N4O4S — CID 23122744

IUPAC3-chloro-N-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc2cccnc2cc1OCc1ccc(Cl)c(OCCN(C)C)c1
InChIInChI=1S/C26H26Cl2N4O4S/c1-17-19(27)6-4-8-25(17)37(33,34)31-26-24(15-22-21(30-26)7-5-11-29-22)36-16-18-9-10-20(28)23(14-18)35-13-12-32(2)3/h4-11,14-15H,12-13,16H2,1-3H3,(H,30,31)
InChIKeyUAWAZITYPFEUKD-UHFFFAOYSA-N
MW561.49 g/mol
LogP5.57
Rot. Bonds10

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

3-chloro-N-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide (PubChem CID 23122744) has the molecular formula C26H26Cl2N4O4S and a molecular weight of 561.49 g/mol. Its IUPAC name is 3-chloro-N-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide
PubChem CID23122744
Molecular FormulaC26H26Cl2N4O4S
Molecular Weight561.49 g/mol
Exact Mass560.11
IUPAC Name3-chloro-N-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc2cccnc2cc1OCc1ccc(Cl)c(OCCN(C)C)c1
InChIInChI=1S/C26H26Cl2N4O4S/c1-17-19(27)6-4-8-25(17)37(33,34)31-26-24(15-22-21(30-26)7-5-11-29-22)36-16-18-9-10-20(28)23(14-18)35-13-12-32(2)3/h4-11,14-15H,12-13,16H2,1-3H3,(H,30,31)
InChIKeyUAWAZITYPFEUKD-UHFFFAOYSA-N
XLogP5.57
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide (CID 23122744) is 3-chloro-N-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc2cccnc2cc1OCc1ccc(Cl)c(OCCN(C)C)c1.
What is the InChIKey of 3-chloro-N-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is UAWAZITYPFEUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O4S/c1-17-19(27)6-4-8-25(17)37(33,34)31-26-24(15-22-21(30-26)7-5-11-29-22)36-16-18-9-10-20(28)23(14-18)35-13-12-32(2)3/h4-11,14-15H,12-13,16H2,1-3H3,(H,30,31).
What are the key properties of 3-chloro-N-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 561.49 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 23122744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).