3-chloro-N-[3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide

C24H28ClN3O5S — CID 23122457

IUPAC3-chloro-N-[3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(COc2cnccc2NS(=O)(=O)c2cccc(Cl)c2C)cc1OCCN(C)C
InChIInChI=1S/C24H28ClN3O5S/c1-17-19(25)6-5-7-24(17)34(29,30)27-20-10-11-26-15-23(20)33-16-18-8-9-21(31-4)22(14-18)32-13-12-28(2)3/h5-11,14-15H,12-13,16H2,1-4H3,(H,26,27)
InChIKeyUENATJVYTRKZQQ-UHFFFAOYSA-N
MW506.02 g/mol
LogP4.37
Rot. Bonds11

About 3-chloro-N-[3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide

3-chloro-N-[3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 23122457) has the molecular formula C24H28ClN3O5S and a molecular weight of 506.02 g/mol. Its IUPAC name is 3-chloro-N-[3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID23122457
Molecular FormulaC24H28ClN3O5S
Molecular Weight506.02 g/mol
Exact Mass505.14
IUPAC Name3-chloro-N-[3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(COc2cnccc2NS(=O)(=O)c2cccc(Cl)c2C)cc1OCCN(C)C
InChIInChI=1S/C24H28ClN3O5S/c1-17-19(25)6-5-7-24(17)34(29,30)27-20-10-11-26-15-23(20)33-16-18-8-9-21(31-4)22(14-18)32-13-12-28(2)3/h5-11,14-15H,12-13,16H2,1-4H3,(H,26,27)
InChIKeyUENATJVYTRKZQQ-UHFFFAOYSA-N
XLogP4.37
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.02
LogP ≤ 54.37
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-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide (CID 23122457) is 3-chloro-N-[3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide is COc1ccc(COc2cnccc2NS(=O)(=O)c2cccc(Cl)c2C)cc1OCCN(C)C.
What is the InChIKey of 3-chloro-N-[3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is UENATJVYTRKZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O5S/c1-17-19(25)6-5-7-24(17)34(29,30)27-20-10-11-26-15-23(20)33-16-18-8-9-21(31-4)22(14-18)32-13-12-28(2)3/h5-11,14-15H,12-13,16H2,1-4H3,(H,26,27).
What are the key properties of 3-chloro-N-[3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide?
3-chloro-N-[3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 506.02 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-4-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 23122457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).