3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide

C26H30ClN3O6S — CID 23122592

IUPAC3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(COc2c(NS(=O)(=O)c3cccc(Cl)c3C)ncc3c2OCC3)cc1OCCN(C)C
InChIInChI=1S/C26H30ClN3O6S/c1-17-20(27)6-5-7-23(17)37(31,32)29-26-25(24-19(15-28-26)10-12-35-24)36-16-18-8-9-21(33-4)22(14-18)34-13-11-30(2)3/h5-9,14-15H,10-13,16H2,1-4H3,(H,28,29)
InChIKeyVWJOBOYQZQKZNR-UHFFFAOYSA-N
MW548.06 g/mol
LogP4.31
Rot. Bonds11

About 3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide

3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide (PubChem CID 23122592) has the molecular formula C26H30ClN3O6S and a molecular weight of 548.06 g/mol. Its IUPAC name is 3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide
PubChem CID23122592
Molecular FormulaC26H30ClN3O6S
Molecular Weight548.06 g/mol
Exact Mass547.15
IUPAC Name3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(COc2c(NS(=O)(=O)c3cccc(Cl)c3C)ncc3c2OCC3)cc1OCCN(C)C
InChIInChI=1S/C26H30ClN3O6S/c1-17-20(27)6-5-7-23(17)37(31,32)29-26-25(24-19(15-28-26)10-12-35-24)36-16-18-8-9-21(33-4)22(14-18)34-13-11-30(2)3/h5-9,14-15H,10-13,16H2,1-4H3,(H,28,29)
InChIKeyVWJOBOYQZQKZNR-UHFFFAOYSA-N
XLogP4.31
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.06
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide (CID 23122592) is 3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide is COc1ccc(COc2c(NS(=O)(=O)c3cccc(Cl)c3C)ncc3c2OCC3)cc1OCCN(C)C.
What is the InChIKey of 3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide?
The InChIKey is VWJOBOYQZQKZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O6S/c1-17-20(27)6-5-7-23(17)37(31,32)29-26-25(24-19(15-28-26)10-12-35-24)36-16-18-8-9-21(33-4)22(14-18)34-13-11-30(2)3/h5-9,14-15H,10-13,16H2,1-4H3,(H,28,29).
What are the key properties of 3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide has a molecular weight of 548.06 g/mol, XLogP of 4.31, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 23122592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).