3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide

C23H21ClN4O5S — CID 23122823

IUPAC3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(COc2nc3ncccc3nc2NS(=O)(=O)c2cccc(Cl)c2C)cc1OC
InChIInChI=1S/C23H21ClN4O5S/c1-14-16(24)6-4-8-20(14)34(29,30)28-22-23(27-21-17(26-22)7-5-11-25-21)33-13-15-9-10-18(31-2)19(12-15)32-3/h4-12H,13H2,1-3H3,(H,26,28)
InChIKeyVSFVAHANFQGWJD-UHFFFAOYSA-N
MW500.96 g/mol
LogP4.38
Rot. Bonds8

About 3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide

3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide (PubChem CID 23122823) has the molecular formula C23H21ClN4O5S and a molecular weight of 500.96 g/mol. Its IUPAC name is 3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide
PubChem CID23122823
Molecular FormulaC23H21ClN4O5S
Molecular Weight500.96 g/mol
Exact Mass500.09
IUPAC Name3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(COc2nc3ncccc3nc2NS(=O)(=O)c2cccc(Cl)c2C)cc1OC
InChIInChI=1S/C23H21ClN4O5S/c1-14-16(24)6-4-8-20(14)34(29,30)28-22-23(27-21-17(26-22)7-5-11-25-21)33-13-15-9-10-18(31-2)19(12-15)32-3/h4-12H,13H2,1-3H3,(H,26,28)
InChIKeyVSFVAHANFQGWJD-UHFFFAOYSA-N
XLogP4.38
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.96
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzenesulfonamide
CID 23122652
3-chloro-N-[6-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-7-yl]-2-methylbenzenesulfonamide
CID 23122602
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide
CID 23122881
3-chloro-N-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide
CID 23122744
3-chloro-N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]pyrido[3,4-b]pyrazin-3-yl]-2-methylbenzenesulfonamide
CID 23122950
3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]pyrido[2,3-d]pyrimidin-6-yl]-2-methylbenzenesulfonamide
CID 23122712
3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide
CID 23122658
3-chloro-N-[5-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]pyrimidin-4-yl]-2-methylbenzenesulfonamide
CID 23122477
3-chloro-N-[4-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]pyrimidin-5-yl]-2-methylbenzenesulfonamide
CID 23122710
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide
CID 23122769
3-chloro-N-[4-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide
CID 23122626
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide
CID 57493723

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide (CID 23122823) is 3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide is COc1ccc(COc2nc3ncccc3nc2NS(=O)(=O)c2cccc(Cl)c2C)cc1OC.
What is the InChIKey of 3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is VSFVAHANFQGWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O5S/c1-14-16(24)6-4-8-20(14)34(29,30)28-22-23(27-21-17(26-22)7-5-11-25-21)33-13-15-9-10-18(31-2)19(12-15)32-3/h4-12H,13H2,1-3H3,(H,26,28).
What are the key properties of 3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 500.96 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 23122823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).