3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide

C20H16ClN5O3S — CID 23122881

IUPAC3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc2ccncc2nc1OCc1cccnc1
InChIInChI=1S/C20H16ClN5O3S/c1-13-15(21)5-2-6-18(13)30(27,28)26-19-20(29-12-14-4-3-8-22-10-14)25-17-11-23-9-7-16(17)24-19/h2-11H,12H2,1H3,(H,24,26)
InChIKeyKCFLUPLRWLBBAX-UHFFFAOYSA-N
MW441.90 g/mol
LogP3.76
Rot. Bonds6

About 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide

3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide (PubChem CID 23122881) has the molecular formula C20H16ClN5O3S and a molecular weight of 441.90 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide
PubChem CID23122881
Molecular FormulaC20H16ClN5O3S
Molecular Weight441.90 g/mol
Exact Mass441.07
IUPAC Name3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc2ccncc2nc1OCc1cccnc1
InChIInChI=1S/C20H16ClN5O3S/c1-13-15(21)5-2-6-18(13)30(27,28)26-19-20(29-12-14-4-3-8-22-10-14)25-17-11-23-9-7-16(17)24-19/h2-11H,12H2,1H3,(H,24,26)
InChIKeyKCFLUPLRWLBBAX-UHFFFAOYSA-N
XLogP3.76
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.90
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide
CID 23122658
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide
CID 23122769
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-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide
CID 57493723
3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide
CID 23122763
N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 10239030
3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide
CID 23122823
4-fluoro-N-[3-(pyridin-3-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075789
3-chloro-N-(6-chloro-3-methoxypyrazin-2-yl)-2-methylbenzenesulfonamide
CID 10150058
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-[3-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,5-naphthyridin-2-yl]-2-methylbenzenesulfonamide
CID 23122744
2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
CID 67403076

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide (CID 23122881) is 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc2ccncc2nc1OCc1cccnc1.
What is the InChIKey of 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide?
The InChIKey is KCFLUPLRWLBBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3S/c1-13-15(21)5-2-6-18(13)30(27,28)26-19-20(29-12-14-4-3-8-22-10-14)25-17-11-23-9-7-16(17)24-19/h2-11H,12H2,1H3,(H,24,26).
What are the key properties of 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide has a molecular weight of 441.90 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23122881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).