3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide

C20H19ClN4O3S — CID 23122769

IUPAC3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc2c(nc1OCc1cccnc1)CCC2
InChIInChI=1S/C20H19ClN4O3S/c1-13-15(21)6-2-9-18(13)29(26,27)25-19-20(24-17-8-3-7-16(17)23-19)28-12-14-5-4-10-22-11-14/h2,4-6,9-11H,3,7-8,12H2,1H3,(H,23,25)
InChIKeyDGHWYKHZQJCMDV-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.70
Rot. Bonds6

About 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide

3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide (PubChem CID 23122769) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide
PubChem CID23122769
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc2c(nc1OCc1cccnc1)CCC2
InChIInChI=1S/C20H19ClN4O3S/c1-13-15(21)6-2-9-18(13)29(26,27)25-19-20(24-17-8-3-7-16(17)23-19)28-12-14-5-4-10-22-11-14/h2,4-6,9-11H,3,7-8,12H2,1H3,(H,23,25)
InChIKeyDGHWYKHZQJCMDV-UHFFFAOYSA-N
XLogP3.70
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide
CID 23122881
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)-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
2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide
CID 23122768
3-chloro-N-(6-chloro-3-methoxypyrazin-2-yl)-2-methylbenzenesulfonamide
CID 10150058
3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide
CID 23122823
3-chloro-N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]pyrido[3,4-b]pyrazin-3-yl]-2-methylbenzenesulfonamide
CID 23122950
4-fluoro-N-[3-(pyridin-3-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075789
3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzenesulfonamide
CID 23122652
4-ethyl-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076176

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide (CID 23122769) is 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc2c(nc1OCc1cccnc1)CCC2.
What is the InChIKey of 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide?
The InChIKey is DGHWYKHZQJCMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-13-15(21)6-2-9-18(13)29(26,27)25-19-20(24-17-8-3-7-16(17)23-19)28-12-14-5-4-10-22-11-14/h2,4-6,9-11H,3,7-8,12H2,1H3,(H,23,25).
What are the key properties of 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide has a molecular weight of 430.92 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23122769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).